[1-(2-cyclopropylethyl)azepan-2-yl]methanamine

C12H24N2 — CID 116640428

IUPAC[1-(2-cyclopropylethyl)azepan-2-yl]methanamine
SMILESNCC1CCCCCN1CCC1CC1
InChIInChI=1S/C12H24N2/c13-10-12-4-2-1-3-8-14(12)9-7-11-5-6-11/h11-12H,1-10,13H2
InChIKeyWKXONIYETINRPJ-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.99
Rot. Bonds4

About [1-(2-cyclopropylethyl)azepan-2-yl]methanamine

[1-(2-cyclopropylethyl)azepan-2-yl]methanamine (PubChem CID 116640428) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is [1-(2-cyclopropylethyl)azepan-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2-cyclopropylethyl)azepan-2-yl]methanamine
PubChem CID116640428
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name[1-(2-cyclopropylethyl)azepan-2-yl]methanamine
SMILESNCC1CCCCCN1CCC1CC1
InChIInChI=1S/C12H24N2/c13-10-12-4-2-1-3-8-14(12)9-7-11-5-6-11/h11-12H,1-10,13H2
InChIKeyWKXONIYETINRPJ-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine
CID 97052114
[1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine
CID 81493135
[1-(2-cyclohexylethyl)azepan-2-yl]methanol
CID 114192428
(1-butylazepan-2-yl)methanamine
CID 116640391
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
CID 64566095
4-[2-(aminomethyl)azepan-1-yl]butan-1-ol
CID 116640497
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride
CID 119916056
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azepan-2-yl]methanamine
CID 116640435
[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493948
(1-dodecylazepan-2-yl)methanamine
CID 116640397
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine
CID 112589800
[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine
CID 43187045

Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclopropylethyl)azepan-2-yl]methanamine?
The IUPAC name of [1-(2-cyclopropylethyl)azepan-2-yl]methanamine (CID 116640428) is [1-(2-cyclopropylethyl)azepan-2-yl]methanamine.
What is the SMILES notation for [1-(2-cyclopropylethyl)azepan-2-yl]methanamine?
The canonical SMILES for [1-(2-cyclopropylethyl)azepan-2-yl]methanamine is NCC1CCCCCN1CCC1CC1.
What is the InChIKey of [1-(2-cyclopropylethyl)azepan-2-yl]methanamine?
The InChIKey is WKXONIYETINRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c13-10-12-4-2-1-3-8-14(12)9-7-11-5-6-11/h11-12H,1-10,13H2.
What are the key properties of [1-(2-cyclopropylethyl)azepan-2-yl]methanamine?
[1-(2-cyclopropylethyl)azepan-2-yl]methanamine has a molecular weight of 196.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclopropylethyl)azepan-2-yl]methanamine is sourced from PubChem (CID 116640428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).