N-[3-(2-methylpropoxy)propyl]cyclohexanamine

C13H27NO — CID 28681853

IUPACN-[3-(2-methylpropoxy)propyl]cyclohexanamine
SMILESCC(C)COCCCNC1CCCCC1
InChIInChI=1S/C13H27NO/c1-12(2)11-15-10-6-9-14-13-7-4-3-5-8-13/h12-14H,3-11H2,1-2H3
InChIKeyHZSJOJNNZLYSPP-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

About N-[3-(2-methylpropoxy)propyl]cyclohexanamine

N-[3-(2-methylpropoxy)propyl]cyclohexanamine (PubChem CID 28681853) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]cyclohexanamine
PubChem CID28681853
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[3-(2-methylpropoxy)propyl]cyclohexanamine
SMILESCC(C)COCCCNC1CCCCC1
InChIInChI=1S/C13H27NO/c1-12(2)11-15-10-6-9-14-13-7-4-3-5-8-13/h12-14H,3-11H2,1-2H3
InChIKeyHZSJOJNNZLYSPP-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
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-methylpropoxy)propyl]cyclohexanamine?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]cyclohexanamine (CID 28681853) is N-[3-(2-methylpropoxy)propyl]cyclohexanamine.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]cyclohexanamine?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]cyclohexanamine is CC(C)COCCCNC1CCCCC1.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]cyclohexanamine?
The InChIKey is HZSJOJNNZLYSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2)11-15-10-6-9-14-13-7-4-3-5-8-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-[3-(2-methylpropoxy)propyl]cyclohexanamine?
N-[3-(2-methylpropoxy)propyl]cyclohexanamine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]cyclohexanamine is sourced from PubChem (CID 28681853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).