(3-piperidin-1-ylcycloheptyl)methanamine

C13H26N2 — CID 83863354

IUPAC(3-piperidin-1-ylcycloheptyl)methanamine
SMILESNCC1CCCCC(N2CCCCC2)C1
InChIInChI=1S/C13H26N2/c14-11-12-6-2-3-7-13(10-12)15-8-4-1-5-9-15/h12-13H,1-11,14H2
InChIKeyPBRVJFMTCQBGSV-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.38
Rot. Bonds2

About (3-piperidin-1-ylcycloheptyl)methanamine

(3-piperidin-1-ylcycloheptyl)methanamine (PubChem CID 83863354) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (3-piperidin-1-ylcycloheptyl)methanamine.

Molecular Properties

Compound Name(3-piperidin-1-ylcycloheptyl)methanamine
PubChem CID83863354
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(3-piperidin-1-ylcycloheptyl)methanamine
SMILESNCC1CCCCC(N2CCCCC2)C1
InChIInChI=1S/C13H26N2/c14-11-12-6-2-3-7-13(10-12)15-8-4-1-5-9-15/h12-13H,1-11,14H2
InChIKeyPBRVJFMTCQBGSV-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-piperidin-1-ylcycloheptyl)methanamine?
The IUPAC name of (3-piperidin-1-ylcycloheptyl)methanamine (CID 83863354) is (3-piperidin-1-ylcycloheptyl)methanamine.
What is the SMILES notation for (3-piperidin-1-ylcycloheptyl)methanamine?
The canonical SMILES for (3-piperidin-1-ylcycloheptyl)methanamine is NCC1CCCCC(N2CCCCC2)C1.
What is the InChIKey of (3-piperidin-1-ylcycloheptyl)methanamine?
The InChIKey is PBRVJFMTCQBGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c14-11-12-6-2-3-7-13(10-12)15-8-4-1-5-9-15/h12-13H,1-11,14H2.
What are the key properties of (3-piperidin-1-ylcycloheptyl)methanamine?
(3-piperidin-1-ylcycloheptyl)methanamine has a molecular weight of 210.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperidin-1-ylcycloheptyl)methanamine is sourced from PubChem (CID 83863354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).