2-N-[1-(azepan-2-yl)propan-2-yl]-1-N,1-N-diethylpropane-1,2-diamine

C16H35N3 — CID 79560887

IUPAC2-N-[1-(azepan-2-yl)propan-2-yl]-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)NC(C)CC1CCCCCN1
InChIInChI=1S/C16H35N3/c1-5-19(6-2)13-15(4)18-14(3)12-16-10-8-7-9-11-17-16/h14-18H,5-13H2,1-4H3
InChIKeyHNIIGHCFMJDNGI-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.62
Rot. Bonds8

About 2-N-[1-(azepan-2-yl)propan-2-yl]-1-N,1-N-diethylpropane-1,2-diamine

2-N-[1-(azepan-2-yl)propan-2-yl]-1-N,1-N-diethylpropane-1,2-diamine (PubChem CID 79560887) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-N-[1-(azepan-2-yl)propan-2-yl]-1-N,1-N-diethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(azepan-2-yl)propan-2-yl]-1-N,1-N-diethylpropane-1,2-diamine
PubChem CID79560887
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2-N-[1-(azepan-2-yl)propan-2-yl]-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)NC(C)CC1CCCCCN1
InChIInChI=1S/C16H35N3/c1-5-19(6-2)13-15(4)18-14(3)12-16-10-8-7-9-11-17-16/h14-18H,5-13H2,1-4H3
InChIKeyHNIIGHCFMJDNGI-UHFFFAOYSA-N
XLogP2.62
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N-dimethyl-2-N-(1-pyrrolidin-2-ylpropan-2-yl)propane-1,2-diamine
CID 82937432
4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol
CID 113376129
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine
CID 79559883
1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine
CID 81384452
N-[1-(azepan-2-yl)propan-2-yl]-1-cyclohexylpropan-1-amine
CID 79560812
3-methyl-N-(1-piperidin-2-ylpropan-2-yl)pentan-2-amine
CID 79539602
N-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine
CID 113477132
2-[1-(azepan-2-yl)propan-2-ylamino]-2-ethylpropane-1,3-diol
CID 107865089
1-N,1-N,4-trimethyl-2-N-(1-piperidin-2-ylpropan-2-yl)pentane-1,2-diamine
CID 79538875
N-[1-(azepan-2-yl)propan-2-yl]octan-4-amine
CID 106023864
N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(azepan-2-yl)propan-2-yl]-1-N,1-N-diethylpropane-1,2-diamine?
The IUPAC name of 2-N-[1-(azepan-2-yl)propan-2-yl]-1-N,1-N-diethylpropane-1,2-diamine (CID 79560887) is 2-N-[1-(azepan-2-yl)propan-2-yl]-1-N,1-N-diethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(azepan-2-yl)propan-2-yl]-1-N,1-N-diethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[1-(azepan-2-yl)propan-2-yl]-1-N,1-N-diethylpropane-1,2-diamine is CCN(CC)CC(C)NC(C)CC1CCCCCN1.
What is the InChIKey of 2-N-[1-(azepan-2-yl)propan-2-yl]-1-N,1-N-diethylpropane-1,2-diamine?
The InChIKey is HNIIGHCFMJDNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-5-19(6-2)13-15(4)18-14(3)12-16-10-8-7-9-11-17-16/h14-18H,5-13H2,1-4H3.
What are the key properties of 2-N-[1-(azepan-2-yl)propan-2-yl]-1-N,1-N-diethylpropane-1,2-diamine?
2-N-[1-(azepan-2-yl)propan-2-yl]-1-N,1-N-diethylpropane-1,2-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(azepan-2-yl)propan-2-yl]-1-N,1-N-diethylpropane-1,2-diamine is sourced from PubChem (CID 79560887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).