N',N'-ditert-butyl-N-[1-[2-[2-(ditert-butylamino)ethylamino]naphthalen-1-yl]naphthalen-2-yl]ethane-1,2-diamine

C40H58N4 — CID 58761650

IUPACN',N'-ditert-butyl-N-[1-[2-[2-(ditert-butylamino)ethylamino]naphthalen-1-yl]naphthalen-2-yl]ethane-1,2-diamine
SMILESCC(C)(C)N(CCNc1ccc2ccccc2c1-c1c(NCCN(C(C)(C)C)C(C)(C)C)ccc2ccccc12)C(C)(C)C
InChIInChI=1S/C40H58N4/c1-37(2,3)43(38(4,5)6)27-25-41-33-23-21-29-17-13-15-19-31(29)35(33)36-32-20-16-14-18-30(32)22-24-34(36)42-26-28-44(39(7,8)9)40(10,11)12/h13-24,41-42H,25-28H2,1-12H3
InChIKeyIPWNBWRTDZKZLW-UHFFFAOYSA-N
MW594.93 g/mol
LogP10.28
Rot. Bonds9

About N',N'-ditert-butyl-N-[1-[2-[2-(ditert-butylamino)ethylamino]naphthalen-1-yl]naphthalen-2-yl]ethane-1,2-diamine

N',N'-ditert-butyl-N-[1-[2-[2-(ditert-butylamino)ethylamino]naphthalen-1-yl]naphthalen-2-yl]ethane-1,2-diamine (PubChem CID 58761650) has the molecular formula C40H58N4 and a molecular weight of 594.93 g/mol. Its IUPAC name is N',N'-ditert-butyl-N-[1-[2-[2-(ditert-butylamino)ethylamino]naphthalen-1-yl]naphthalen-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-ditert-butyl-N-[1-[2-[2-(ditert-butylamino)ethylamino]naphthalen-1-yl]naphthalen-2-yl]ethane-1,2-diamine
PubChem CID58761650
Molecular FormulaC40H58N4
Molecular Weight594.93 g/mol
Exact Mass594.47
IUPAC NameN',N'-ditert-butyl-N-[1-[2-[2-(ditert-butylamino)ethylamino]naphthalen-1-yl]naphthalen-2-yl]ethane-1,2-diamine
SMILESCC(C)(C)N(CCNc1ccc2ccccc2c1-c1c(NCCN(C(C)(C)C)C(C)(C)C)ccc2ccccc12)C(C)(C)C
InChIInChI=1S/C40H58N4/c1-37(2,3)43(38(4,5)6)27-25-41-33-23-21-29-17-13-15-19-31(29)35(33)36-32-20-16-14-18-30(32)22-24-34(36)42-26-28-44(39(7,8)9)40(10,11)12/h13-24,41-42H,25-28H2,1-12H3
InChIKeyIPWNBWRTDZKZLW-UHFFFAOYSA-N
XLogP10.28
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.93
LogP ≤ 510.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[2-(ethylamino)naphthalen-1-yl]naphthalen-2-amine
CID 13346234
N-(2-diphenylphosphanylethyl)-1-[2-(2-diphenylphosphanylethylamino)naphthalen-1-yl]naphthalen-2-amine
CID 58761652
N-[tert-butyl(dimethyl)silyl]-1-[2-[[tert-butyl(dimethyl)silyl]amino]naphthalen-1-yl]naphthalen-2-amine
CID 101234360
(S)-N-[1-[2-[[(S)-tert-butylsulfinyl]amino]naphthalen-1-yl]naphthalen-2-yl]-2-methylpropane-2-sulfinamide
CID 163788130
N-tert-butyl-1-naphthalen-1-ylnaphthalen-2-amine
CID 146334999
N-(pyridin-4-ylmethyl)-1-[2-(pyridin-4-ylmethylamino)naphthalen-1-yl]naphthalen-2-amine
CID 58761741
13,13-ditert-butyl-12,14-dioxa-13-silapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 86213074
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
2-hydroxy-N-[1-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]naphthalen-1-yl]naphthalen-2-yl]-2,2-diphenylacetamide
CID 177433826
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
2-(tert-butylamino)naphthalen-1-ol
CID 70427570
12,12,14,14-tetramethyl-13-oxa-12,14-disilapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 15784606

Frequently Asked Questions

What is the IUPAC name of N',N'-ditert-butyl-N-[1-[2-[2-(ditert-butylamino)ethylamino]naphthalen-1-yl]naphthalen-2-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-ditert-butyl-N-[1-[2-[2-(ditert-butylamino)ethylamino]naphthalen-1-yl]naphthalen-2-yl]ethane-1,2-diamine (CID 58761650) is N',N'-ditert-butyl-N-[1-[2-[2-(ditert-butylamino)ethylamino]naphthalen-1-yl]naphthalen-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-ditert-butyl-N-[1-[2-[2-(ditert-butylamino)ethylamino]naphthalen-1-yl]naphthalen-2-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-ditert-butyl-N-[1-[2-[2-(ditert-butylamino)ethylamino]naphthalen-1-yl]naphthalen-2-yl]ethane-1,2-diamine is CC(C)(C)N(CCNc1ccc2ccccc2c1-c1c(NCCN(C(C)(C)C)C(C)(C)C)ccc2ccccc12)C(C)(C)C.
What is the InChIKey of N',N'-ditert-butyl-N-[1-[2-[2-(ditert-butylamino)ethylamino]naphthalen-1-yl]naphthalen-2-yl]ethane-1,2-diamine?
The InChIKey is IPWNBWRTDZKZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H58N4/c1-37(2,3)43(38(4,5)6)27-25-41-33-23-21-29-17-13-15-19-31(29)35(33)36-32-20-16-14-18-30(32)22-24-34(36)42-26-28-44(39(7,8)9)40(10,11)12/h13-24,41-42H,25-28H2,1-12H3.
What are the key properties of N',N'-ditert-butyl-N-[1-[2-[2-(ditert-butylamino)ethylamino]naphthalen-1-yl]naphthalen-2-yl]ethane-1,2-diamine?
N',N'-ditert-butyl-N-[1-[2-[2-(ditert-butylamino)ethylamino]naphthalen-1-yl]naphthalen-2-yl]ethane-1,2-diamine has a molecular weight of 594.93 g/mol, XLogP of 10.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-ditert-butyl-N-[1-[2-[2-(ditert-butylamino)ethylamino]naphthalen-1-yl]naphthalen-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 58761650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).