N-(cycloheptylmethyl)propan-2-amine

C11H23N — CID 58786931

IUPACN-(cycloheptylmethyl)propan-2-amine
SMILESCC(C)NCC1CCCCCC1
InChIInChI=1S/C11H23N/c1-10(2)12-9-11-7-5-3-4-6-8-11/h10-12H,3-9H2,1-2H3
InChIKeyHYJINICKPDUEKA-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.95
Rot. Bonds3

About N-(cycloheptylmethyl)propan-2-amine

N-(cycloheptylmethyl)propan-2-amine (PubChem CID 58786931) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-(cycloheptylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(cycloheptylmethyl)propan-2-amine
PubChem CID58786931
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-(cycloheptylmethyl)propan-2-amine
SMILESCC(C)NCC1CCCCCC1
InChIInChI=1S/C11H23N/c1-10(2)12-9-11-7-5-3-4-6-8-11/h10-12H,3-9H2,1-2H3
InChIKeyHYJINICKPDUEKA-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)propan-2-amine?
The IUPAC name of N-(cycloheptylmethyl)propan-2-amine (CID 58786931) is N-(cycloheptylmethyl)propan-2-amine.
What is the SMILES notation for N-(cycloheptylmethyl)propan-2-amine?
The canonical SMILES for N-(cycloheptylmethyl)propan-2-amine is CC(C)NCC1CCCCCC1.
What is the InChIKey of N-(cycloheptylmethyl)propan-2-amine?
The InChIKey is HYJINICKPDUEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-10(2)12-9-11-7-5-3-4-6-8-11/h10-12H,3-9H2,1-2H3.
What are the key properties of N-(cycloheptylmethyl)propan-2-amine?
N-(cycloheptylmethyl)propan-2-amine has a molecular weight of 169.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)propan-2-amine is sourced from PubChem (CID 58786931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).