N-(azepan-2-ylmethyl)-N-ethylethanamine

C11H24N2 — CID 4715268

IUPACN-(azepan-2-ylmethyl)-N-ethylethanamine
SMILESCCN(CC)CC1CCCCCN1
InChIInChI=1S/C11H24N2/c1-3-13(4-2)10-11-8-6-5-7-9-12-11/h11-12H,3-10H2,1-2H3
InChIKeyIQRUHWOHXDKZDC-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.86
Rot. Bonds4

About N-(azepan-2-ylmethyl)-N-ethylethanamine

N-(azepan-2-ylmethyl)-N-ethylethanamine (PubChem CID 4715268) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-(azepan-2-ylmethyl)-N-ethylethanamine.

Molecular Properties

Compound NameN-(azepan-2-ylmethyl)-N-ethylethanamine
PubChem CID4715268
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-(azepan-2-ylmethyl)-N-ethylethanamine
SMILESCCN(CC)CC1CCCCCN1
InChIInChI=1S/C11H24N2/c1-3-13(4-2)10-11-8-6-5-7-9-12-11/h11-12H,3-10H2,1-2H3
InChIKeyIQRUHWOHXDKZDC-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-(cyclopropylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 63955583
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622509
2-ethoxy-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 63696688
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
N-ethyl-3-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106622572
3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile
CID 106632376
N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 64569967
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
N-cyclohexyl-3-[ethyl(piperidin-2-ylmethyl)amino]propanamide
CID 106632493
2-ethoxy-N-(2-ethoxyethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 82954745

Frequently Asked Questions

What is the IUPAC name of N-(azepan-2-ylmethyl)-N-ethylethanamine?
The IUPAC name of N-(azepan-2-ylmethyl)-N-ethylethanamine (CID 4715268) is N-(azepan-2-ylmethyl)-N-ethylethanamine.
What is the SMILES notation for N-(azepan-2-ylmethyl)-N-ethylethanamine?
The canonical SMILES for N-(azepan-2-ylmethyl)-N-ethylethanamine is CCN(CC)CC1CCCCCN1.
What is the InChIKey of N-(azepan-2-ylmethyl)-N-ethylethanamine?
The InChIKey is IQRUHWOHXDKZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-13(4-2)10-11-8-6-5-7-9-12-11/h11-12H,3-10H2,1-2H3.
What are the key properties of N-(azepan-2-ylmethyl)-N-ethylethanamine?
N-(azepan-2-ylmethyl)-N-ethylethanamine has a molecular weight of 184.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-2-ylmethyl)-N-ethylethanamine is sourced from PubChem (CID 4715268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).