N,N-diethylazepan-2-amine

C10H22N2 — CID 174564826

IUPACN,N-diethylazepan-2-amine
SMILESCCN(CC)C1CCCCCN1
InChIInChI=1S/C10H22N2/c1-3-12(4-2)10-8-6-5-7-9-11-10/h10-11H,3-9H2,1-2H3
InChIKeyAJZCKNOBTOOWFU-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.82
Rot. Bonds3

About N,N-diethylazepan-2-amine

N,N-diethylazepan-2-amine (PubChem CID 174564826) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N,N-diethylazepan-2-amine.

Molecular Properties

Compound NameN,N-diethylazepan-2-amine
PubChem CID174564826
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN,N-diethylazepan-2-amine
SMILESCCN(CC)C1CCCCCN1
InChIInChI=1S/C10H22N2/c1-3-12(4-2)10-8-6-5-7-9-11-10/h10-11H,3-9H2,1-2H3
InChIKeyAJZCKNOBTOOWFU-UHFFFAOYSA-N
XLogP1.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl(piperidin-2-yl)carbamic acid
CID 175238283
N-butyl-N-propylpyrrolidin-2-amine
CID 90707555
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
N,N-dimethyl-N'-piperidin-2-yl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine
CID 163173590
4-[ethyl(piperidin-2-yl)amino]-2-methyl-3-[2-[(2-methyl-2-sulfanylpropyl)amino]ethylamino]butane-2-thiol
CID 88634048
N,N-diethylcycloundecanamine
CID 163828609
N-ethyl-N-methylazetidin-2-amine
CID 123787719
N,N-dimethylpyrrolidin-2-amine
CID 18761762
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-piperidin-2-yl-N-prop-2-enylpiperidin-2-amine
CID 5248637
(2R)-2-methylazonane
CID 89251055
(2S)-2-methylazocane
CID 137404038

Frequently Asked Questions

What is the IUPAC name of N,N-diethylazepan-2-amine?
The IUPAC name of N,N-diethylazepan-2-amine (CID 174564826) is N,N-diethylazepan-2-amine.
What is the SMILES notation for N,N-diethylazepan-2-amine?
The canonical SMILES for N,N-diethylazepan-2-amine is CCN(CC)C1CCCCCN1.
What is the InChIKey of N,N-diethylazepan-2-amine?
The InChIKey is AJZCKNOBTOOWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-3-12(4-2)10-8-6-5-7-9-11-10/h10-11H,3-9H2,1-2H3.
What are the key properties of N,N-diethylazepan-2-amine?
N,N-diethylazepan-2-amine has a molecular weight of 170.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylazepan-2-amine is sourced from PubChem (CID 174564826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).