N-(3-propan-2-yloxypropyl)cyclohexanamine

C12H25NO — CID 15930903

IUPACN-(3-propan-2-yloxypropyl)cyclohexanamine
SMILESCC(C)OCCCNC1CCCCC1
InChIInChI=1S/C12H25NO/c1-11(2)14-10-6-9-13-12-7-4-3-5-8-12/h11-13H,3-10H2,1-2H3
InChIKeyXCIMUJMUZFQPPZ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds6

About N-(3-propan-2-yloxypropyl)cyclohexanamine

N-(3-propan-2-yloxypropyl)cyclohexanamine (PubChem CID 15930903) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)cyclohexanamine.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)cyclohexanamine
PubChem CID15930903
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(3-propan-2-yloxypropyl)cyclohexanamine
SMILESCC(C)OCCCNC1CCCCC1
InChIInChI=1S/C12H25NO/c1-11(2)14-10-6-9-13-12-7-4-3-5-8-12/h11-13H,3-10H2,1-2H3
InChIKeyXCIMUJMUZFQPPZ-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
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-propan-2-yloxypropyl)cyclohexanamine?
The IUPAC name of N-(3-propan-2-yloxypropyl)cyclohexanamine (CID 15930903) is N-(3-propan-2-yloxypropyl)cyclohexanamine.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)cyclohexanamine?
The canonical SMILES for N-(3-propan-2-yloxypropyl)cyclohexanamine is CC(C)OCCCNC1CCCCC1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)cyclohexanamine?
The InChIKey is XCIMUJMUZFQPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)14-10-6-9-13-12-7-4-3-5-8-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-(3-propan-2-yloxypropyl)cyclohexanamine?
N-(3-propan-2-yloxypropyl)cyclohexanamine has a molecular weight of 199.34 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-propan-2-yloxypropyl)cyclohexanamine is sourced from PubChem (CID 15930903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).