N'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine

C10H26N4 — CID 164940273

IUPACN'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine
SMILESCC(C)(C)NCCN(CCN)CCN
InChIInChI=1S/C10H26N4/c1-10(2,3)13-6-9-14(7-4-11)8-5-12/h13H,4-9,11-12H2,1-3H3
InChIKeyADGWVUVMWDTNNP-UHFFFAOYSA-N
MW202.35 g/mol
LogP-0.41
Rot. Bonds7

About N'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine

N'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine (PubChem CID 164940273) has the molecular formula C10H26N4 and a molecular weight of 202.35 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine
PubChem CID164940273
Molecular FormulaC10H26N4
Molecular Weight202.35 g/mol
Exact Mass202.22
IUPAC NameN'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine
SMILESCC(C)(C)NCCN(CCN)CCN
InChIInChI=1S/C10H26N4/c1-10(2,3)13-6-9-14(7-4-11)8-5-12/h13H,4-9,11-12H2,1-3H3
InChIKeyADGWVUVMWDTNNP-UHFFFAOYSA-N
XLogP-0.41
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(tert-butylamino)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 176602004
(NZ)-N-[3-[2-[2-aminoethyl-[2-[[(3Z)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]amino]ethylamino]-3-methylbutan-2-ylidene]hydroxylamine
CID 59692224
N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen
CID 142350039
N'-(2-aminoethyl)-N'-[2-(methylamino)ethyl]ethane-1,2-diamine;methane
CID 161159792
N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine
CID 163255552
N'-(2-aminoethyl)-N'-[2-(ethylamino)ethyl]ethane-1,2-diamine;N'-[2-(ethylamino)ethyl]ethane-1,2-diamine
CID 160516992
2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol;ethane
CID 143379141
N-tert-butyl-N',N'-dipropylpropane-1,3-diamine
CID 60851501
N'-[2-[2-aminoethyl-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethylamino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 171053693
N'-(2-aminoethyl)-N'-[2-(ethylamino)ethyl]ethane-1,2-diamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;chloroethane;sulfanylidenephosphane
CID 159016160
N'-[2-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-(3,3-dimethylbutylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine;2-methylpropane
CID 176972890
N-tert-butyl-N',N'-dibutylbutane-1,4-diamine
CID 62418469

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine (CID 164940273) is N'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine is CC(C)(C)NCCN(CCN)CCN.
What is the InChIKey of N'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine?
The InChIKey is ADGWVUVMWDTNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4/c1-10(2,3)13-6-9-14(7-4-11)8-5-12/h13H,4-9,11-12H2,1-3H3.
What are the key properties of N'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine has a molecular weight of 202.35 g/mol, XLogP of -0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 164940273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).