N-[3-(4-methylcyclohexyl)oxypropyl]cyclopropanamine

C13H25NO — CID 55208930

IUPACN-[3-(4-methylcyclohexyl)oxypropyl]cyclopropanamine
SMILESCC1CCC(OCCCNC2CC2)CC1
InChIInChI=1S/C13H25NO/c1-11-3-7-13(8-4-11)15-10-2-9-14-12-5-6-12/h11-14H,2-10H2,1H3
InChIKeyWTFGFSZSZZSJKM-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds6

About N-[3-(4-methylcyclohexyl)oxypropyl]cyclopropanamine

N-[3-(4-methylcyclohexyl)oxypropyl]cyclopropanamine (PubChem CID 55208930) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[3-(4-methylcyclohexyl)oxypropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-methylcyclohexyl)oxypropyl]cyclopropanamine
PubChem CID55208930
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[3-(4-methylcyclohexyl)oxypropyl]cyclopropanamine
SMILESCC1CCC(OCCCNC2CC2)CC1
InChIInChI=1S/C13H25NO/c1-11-3-7-13(8-4-11)15-10-2-9-14-12-5-6-12/h11-14H,2-10H2,1H3
InChIKeyWTFGFSZSZZSJKM-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
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-(4-methylcyclohexyl)oxypropyl]cyclopropanamine?
The IUPAC name of N-[3-(4-methylcyclohexyl)oxypropyl]cyclopropanamine (CID 55208930) is N-[3-(4-methylcyclohexyl)oxypropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-methylcyclohexyl)oxypropyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-methylcyclohexyl)oxypropyl]cyclopropanamine is CC1CCC(OCCCNC2CC2)CC1.
What is the InChIKey of N-[3-(4-methylcyclohexyl)oxypropyl]cyclopropanamine?
The InChIKey is WTFGFSZSZZSJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11-3-7-13(8-4-11)15-10-2-9-14-12-5-6-12/h11-14H,2-10H2,1H3.
What are the key properties of N-[3-(4-methylcyclohexyl)oxypropyl]cyclopropanamine?
N-[3-(4-methylcyclohexyl)oxypropyl]cyclopropanamine has a molecular weight of 211.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylcyclohexyl)oxypropyl]cyclopropanamine is sourced from PubChem (CID 55208930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).