N-(3-cyclopentyloxypropyl)cycloheptanamine

C15H29NO — CID 131948793

IUPACN-(3-cyclopentyloxypropyl)cycloheptanamine
SMILESC1CCCC(NCCCOC2CCCC2)CC1
InChIInChI=1S/C15H29NO/c1-2-4-9-14(8-3-1)16-12-7-13-17-15-10-5-6-11-15/h14-16H,1-13H2
InChIKeyFGZSBWDXHGDESJ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.65
Rot. Bonds6

About N-(3-cyclopentyloxypropyl)cycloheptanamine

N-(3-cyclopentyloxypropyl)cycloheptanamine (PubChem CID 131948793) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)cycloheptanamine.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)cycloheptanamine
PubChem CID131948793
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-(3-cyclopentyloxypropyl)cycloheptanamine
SMILESC1CCCC(NCCCOC2CCCC2)CC1
InChIInChI=1S/C15H29NO/c1-2-4-9-14(8-3-1)16-12-7-13-17-15-10-5-6-11-15/h14-16H,1-13H2
InChIKeyFGZSBWDXHGDESJ-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)cycloheptanamine?
The IUPAC name of N-(3-cyclopentyloxypropyl)cycloheptanamine (CID 131948793) is N-(3-cyclopentyloxypropyl)cycloheptanamine.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)cycloheptanamine?
The canonical SMILES for N-(3-cyclopentyloxypropyl)cycloheptanamine is C1CCCC(NCCCOC2CCCC2)CC1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)cycloheptanamine?
The InChIKey is FGZSBWDXHGDESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-4-9-14(8-3-1)16-12-7-13-17-15-10-5-6-11-15/h14-16H,1-13H2.
What are the key properties of N-(3-cyclopentyloxypropyl)cycloheptanamine?
N-(3-cyclopentyloxypropyl)cycloheptanamine has a molecular weight of 239.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)cycloheptanamine is sourced from PubChem (CID 131948793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).