N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

C17H37N3 — CID 79552895

IUPACN-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(CC1CCCCCN1)NCCN(C(C)C)C(C)C
InChIInChI=1S/C17H37N3/c1-14(2)20(15(3)4)12-11-18-16(5)13-17-9-7-6-8-10-19-17/h14-19H,6-13H2,1-5H3
InChIKeyGTULMFUZQISGOJ-UHFFFAOYSA-N
MW283.50 g/mol
LogP3.01
Rot. Bonds8

About N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 79552895) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID79552895
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(CC1CCCCCN1)NCCN(C(C)C)C(C)C
InChIInChI=1S/C17H37N3/c1-14(2)20(15(3)4)12-11-18-16(5)13-17-9-7-6-8-10-19-17/h14-19H,6-13H2,1-5H3
InChIKeyGTULMFUZQISGOJ-UHFFFAOYSA-N
XLogP3.01
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-di(propan-2-yl)-N-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79540106
1-(azepan-2-yl)-N-(2-methylsulfonylethyl)propan-2-amine
CID 79560223
2-[1-(azepan-2-yl)propan-2-ylamino]-N,N-dimethylethanesulfonamide
CID 106336117
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541429
1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine
CID 79560062
N-[3-[1-(azepan-2-yl)propan-2-ylamino]propyl]methanesulfonamide
CID 106333370
4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol
CID 106840824
N-(1-piperidin-2-ylpropan-2-yl)but-3-yn-1-amine
CID 79538896
N-[1-(azepan-2-yl)propan-2-yl]-4-methoxybutan-1-amine
CID 79560965
methyl 3-[1-(azepan-2-yl)propan-2-ylamino]propanoate
CID 79560294
5-(1-piperidin-2-ylpropan-2-ylamino)pentan-1-ol
CID 107316724

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 79552895) is N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(CC1CCCCCN1)NCCN(C(C)C)C(C)C.
What is the InChIKey of N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is GTULMFUZQISGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-14(2)20(15(3)4)12-11-18-16(5)13-17-9-7-6-8-10-19-17/h14-19H,6-13H2,1-5H3.
What are the key properties of N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 283.50 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 79552895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).