tert-butyl N-[2-[4-amino-3-(2-aminoethyl)-N-ethylanilino]ethyl]carbamate

C17H30N4O2 — CID 148894356

IUPACtert-butyl N-[2-[4-amino-3-(2-aminoethyl)-N-ethylanilino]ethyl]carbamate
SMILESCCN(CCNC(=O)OC(C)(C)C)c1ccc(N)c(CCN)c1
InChIInChI=1S/C17H30N4O2/c1-5-21(11-10-20-16(22)23-17(2,3)4)14-6-7-15(19)13(12-14)8-9-18/h6-7,12H,5,8-11,18-19H2,1-4H3,(H,20,22)
InChIKeyPFOGXTLORUAXTP-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.12
Rot. Bonds7

About tert-butyl N-[2-[4-amino-3-(2-aminoethyl)-N-ethylanilino]ethyl]carbamate

tert-butyl N-[2-[4-amino-3-(2-aminoethyl)-N-ethylanilino]ethyl]carbamate (PubChem CID 148894356) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[2-[4-amino-3-(2-aminoethyl)-N-ethylanilino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-amino-3-(2-aminoethyl)-N-ethylanilino]ethyl]carbamate
PubChem CID148894356
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl N-[2-[4-amino-3-(2-aminoethyl)-N-ethylanilino]ethyl]carbamate
SMILESCCN(CCNC(=O)OC(C)(C)C)c1ccc(N)c(CCN)c1
InChIInChI=1S/C17H30N4O2/c1-5-21(11-10-20-16(22)23-17(2,3)4)14-6-7-15(19)13(12-14)8-9-18/h6-7,12H,5,8-11,18-19H2,1-4H3,(H,20,22)
InChIKeyPFOGXTLORUAXTP-UHFFFAOYSA-N
XLogP2.12
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[2-amino-5-(trifluoromethyl)phenyl]methyl]carbamate
CID 171666541
tert-butyl N-[2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]ethyl]carbamate
CID 134576474
3-(4-amino-N,3-diethylanilino)propan-1-ol
CID 18004349
tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate
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tert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate
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tert-butyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
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tert-butyl N-[2-[(2,5-dichlorophenyl)methyl-(3,6-dichloropyridazin-4-yl)amino]ethyl]carbamate
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tert-butyl N-[2-(2-amino-5-fluoroanilino)ethyl]carbamate
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tert-butyl N-[2-[4-(4-aminobutyl)anilino]ethyl]carbamate
CID 58664817
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-amino-3-(2-aminoethyl)-N-ethylanilino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-amino-3-(2-aminoethyl)-N-ethylanilino]ethyl]carbamate (CID 148894356) is tert-butyl N-[2-[4-amino-3-(2-aminoethyl)-N-ethylanilino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-amino-3-(2-aminoethyl)-N-ethylanilino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-amino-3-(2-aminoethyl)-N-ethylanilino]ethyl]carbamate is CCN(CCNC(=O)OC(C)(C)C)c1ccc(N)c(CCN)c1.
What is the InChIKey of tert-butyl N-[2-[4-amino-3-(2-aminoethyl)-N-ethylanilino]ethyl]carbamate?
The InChIKey is PFOGXTLORUAXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-5-21(11-10-20-16(22)23-17(2,3)4)14-6-7-15(19)13(12-14)8-9-18/h6-7,12H,5,8-11,18-19H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[4-amino-3-(2-aminoethyl)-N-ethylanilino]ethyl]carbamate?
tert-butyl N-[2-[4-amino-3-(2-aminoethyl)-N-ethylanilino]ethyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-amino-3-(2-aminoethyl)-N-ethylanilino]ethyl]carbamate is sourced from PubChem (CID 148894356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).