N-[3-(2-ethylcyclohexyl)oxypropyl]cyclopropanamine

C14H27NO — CID 62444923

IUPACN-[3-(2-ethylcyclohexyl)oxypropyl]cyclopropanamine
SMILESCCC1CCCCC1OCCCNC1CC1
InChIInChI=1S/C14H27NO/c1-2-12-6-3-4-7-14(12)16-11-5-10-15-13-8-9-13/h12-15H,2-11H2,1H3
InChIKeyCCCLVTOXJBDSQD-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds7

About N-[3-(2-ethylcyclohexyl)oxypropyl]cyclopropanamine

N-[3-(2-ethylcyclohexyl)oxypropyl]cyclopropanamine (PubChem CID 62444923) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[3-(2-ethylcyclohexyl)oxypropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-ethylcyclohexyl)oxypropyl]cyclopropanamine
PubChem CID62444923
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[3-(2-ethylcyclohexyl)oxypropyl]cyclopropanamine
SMILESCCC1CCCCC1OCCCNC1CC1
InChIInChI=1S/C14H27NO/c1-2-12-6-3-4-7-14(12)16-11-5-10-15-13-8-9-13/h12-15H,2-11H2,1H3
InChIKeyCCCLVTOXJBDSQD-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
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-(2-ethylcyclohexyl)oxypropyl]cyclopropanamine?
The IUPAC name of N-[3-(2-ethylcyclohexyl)oxypropyl]cyclopropanamine (CID 62444923) is N-[3-(2-ethylcyclohexyl)oxypropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-ethylcyclohexyl)oxypropyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-ethylcyclohexyl)oxypropyl]cyclopropanamine is CCC1CCCCC1OCCCNC1CC1.
What is the InChIKey of N-[3-(2-ethylcyclohexyl)oxypropyl]cyclopropanamine?
The InChIKey is CCCLVTOXJBDSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-12-6-3-4-7-14(12)16-11-5-10-15-13-8-9-13/h12-15H,2-11H2,1H3.
What are the key properties of N-[3-(2-ethylcyclohexyl)oxypropyl]cyclopropanamine?
N-[3-(2-ethylcyclohexyl)oxypropyl]cyclopropanamine has a molecular weight of 225.38 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylcyclohexyl)oxypropyl]cyclopropanamine is sourced from PubChem (CID 62444923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).