(1-cycloheptylazepan-2-yl)methanamine

C14H28N2 — CID 116640538

IUPAC(1-cycloheptylazepan-2-yl)methanamine
SMILESNCC1CCCCCN1C1CCCCCC1
InChIInChI=1S/C14H28N2/c15-12-14-10-6-3-7-11-16(14)13-8-4-1-2-5-9-13/h13-14H,1-12,15H2
InChIKeySKEHBZDXZFRYSQ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.91
Rot. Bonds2

About (1-cycloheptylazepan-2-yl)methanamine

(1-cycloheptylazepan-2-yl)methanamine (PubChem CID 116640538) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (1-cycloheptylazepan-2-yl)methanamine.

Molecular Properties

Compound Name(1-cycloheptylazepan-2-yl)methanamine
PubChem CID116640538
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(1-cycloheptylazepan-2-yl)methanamine
SMILESNCC1CCCCCN1C1CCCCCC1
InChIInChI=1S/C14H28N2/c15-12-14-10-6-3-7-11-16(14)13-8-4-1-2-5-9-13/h13-14H,1-12,15H2
InChIKeySKEHBZDXZFRYSQ-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-cycloheptylazepan-2-yl)methanamine?
The IUPAC name of (1-cycloheptylazepan-2-yl)methanamine (CID 116640538) is (1-cycloheptylazepan-2-yl)methanamine.
What is the SMILES notation for (1-cycloheptylazepan-2-yl)methanamine?
The canonical SMILES for (1-cycloheptylazepan-2-yl)methanamine is NCC1CCCCCN1C1CCCCCC1.
What is the InChIKey of (1-cycloheptylazepan-2-yl)methanamine?
The InChIKey is SKEHBZDXZFRYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c15-12-14-10-6-3-7-11-16(14)13-8-4-1-2-5-9-13/h13-14H,1-12,15H2.
What are the key properties of (1-cycloheptylazepan-2-yl)methanamine?
(1-cycloheptylazepan-2-yl)methanamine has a molecular weight of 224.39 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cycloheptylazepan-2-yl)methanamine is sourced from PubChem (CID 116640538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).