N-(cycloheptylmethyl)cyclopropanamine

C11H21N — CID 62587753

IUPACN-(cycloheptylmethyl)cyclopropanamine
SMILESC1CCCC(CNC2CC2)CC1
InChIInChI=1S/C11H21N/c1-2-4-6-10(5-3-1)9-12-11-7-8-11/h10-12H,1-9H2
InChIKeyDYFKVGUQTQGFEH-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.71
Rot. Bonds3

About N-(cycloheptylmethyl)cyclopropanamine

N-(cycloheptylmethyl)cyclopropanamine (PubChem CID 62587753) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-(cycloheptylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(cycloheptylmethyl)cyclopropanamine
PubChem CID62587753
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-(cycloheptylmethyl)cyclopropanamine
SMILESC1CCCC(CNC2CC2)CC1
InChIInChI=1S/C11H21N/c1-2-4-6-10(5-3-1)9-12-11-7-8-11/h10-12H,1-9H2
InChIKeyDYFKVGUQTQGFEH-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)cyclopropanamine?
The IUPAC name of N-(cycloheptylmethyl)cyclopropanamine (CID 62587753) is N-(cycloheptylmethyl)cyclopropanamine.
What is the SMILES notation for N-(cycloheptylmethyl)cyclopropanamine?
The canonical SMILES for N-(cycloheptylmethyl)cyclopropanamine is C1CCCC(CNC2CC2)CC1.
What is the InChIKey of N-(cycloheptylmethyl)cyclopropanamine?
The InChIKey is DYFKVGUQTQGFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-4-6-10(5-3-1)9-12-11-7-8-11/h10-12H,1-9H2.
What are the key properties of N-(cycloheptylmethyl)cyclopropanamine?
N-(cycloheptylmethyl)cyclopropanamine has a molecular weight of 167.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)cyclopropanamine is sourced from PubChem (CID 62587753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).