N-(azepan-4-ylmethyl)-N-methylpropan-2-amine

C11H24N2 — CID 21024108

IUPACN-(azepan-4-ylmethyl)-N-methylpropan-2-amine
SMILESCC(C)N(C)CC1CCCNCC1
InChIInChI=1S/C11H24N2/c1-10(2)13(3)9-11-5-4-7-12-8-6-11/h10-12H,4-9H2,1-3H3
InChIKeyNODFTRLCKLABLX-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.72
Rot. Bonds3

About N-(azepan-4-ylmethyl)-N-methylpropan-2-amine

N-(azepan-4-ylmethyl)-N-methylpropan-2-amine (PubChem CID 21024108) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-(azepan-4-ylmethyl)-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-(azepan-4-ylmethyl)-N-methylpropan-2-amine
PubChem CID21024108
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-(azepan-4-ylmethyl)-N-methylpropan-2-amine
SMILESCC(C)N(C)CC1CCCNCC1
InChIInChI=1S/C11H24N2/c1-10(2)13(3)9-11-5-4-7-12-8-6-11/h10-12H,4-9H2,1-3H3
InChIKeyNODFTRLCKLABLX-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-ylmethyl)-N-methylpropan-2-amine?
The IUPAC name of N-(azepan-4-ylmethyl)-N-methylpropan-2-amine (CID 21024108) is N-(azepan-4-ylmethyl)-N-methylpropan-2-amine.
What is the SMILES notation for N-(azepan-4-ylmethyl)-N-methylpropan-2-amine?
The canonical SMILES for N-(azepan-4-ylmethyl)-N-methylpropan-2-amine is CC(C)N(C)CC1CCCNCC1.
What is the InChIKey of N-(azepan-4-ylmethyl)-N-methylpropan-2-amine?
The InChIKey is NODFTRLCKLABLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-10(2)13(3)9-11-5-4-7-12-8-6-11/h10-12H,4-9H2,1-3H3.
What are the key properties of N-(azepan-4-ylmethyl)-N-methylpropan-2-amine?
N-(azepan-4-ylmethyl)-N-methylpropan-2-amine has a molecular weight of 184.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-ylmethyl)-N-methylpropan-2-amine is sourced from PubChem (CID 21024108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).