3-methyl-N-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine

C14H27NO — CID 65163773

IUPAC3-methyl-N-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
SMILESCC1CCCC(NCCCC2CCCO2)C1
InChIInChI=1S/C14H27NO/c1-12-5-2-6-13(11-12)15-9-3-7-14-8-4-10-16-14/h12-15H,2-11H2,1H3
InChIKeyUQEBRPPGIUYILD-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds5

About 3-methyl-N-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine

3-methyl-N-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine (PubChem CID 65163773) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-methyl-N-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
PubChem CID65163773
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-methyl-N-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
SMILESCC1CCCC(NCCCC2CCCO2)C1
InChIInChI=1S/C14H27NO/c1-12-5-2-6-13(11-12)15-9-3-7-14-8-4-10-16-14/h12-15H,2-11H2,1H3
InChIKeyUQEBRPPGIUYILD-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

N'-(3-methylcyclohexyl)propane-1,3-diamine
CID 60889312
N-[3-(oxan-2-yl)propyl]oxan-4-amine
CID 104627077
N-(2-cyclobutylethyl)-3-methylcyclohexan-1-amine
CID 115690272
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
4-[(3-methylcyclohexyl)amino]butanenitrile
CID 43317904
3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine
CID 115654251
N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65164076
N-ethyl-3-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 65165304
N-[4-(oxolan-2-yl)butyl]piperidin-4-amine;dihydrochloride
CID 154890824
N-methyl-1-(3-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164399
3-methyl-N-(3-piperidin-1-ylpropyl)cyclohexan-1-amine
CID 43181773
[3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol
CID 65163745

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine (CID 65163773) is 3-methyl-N-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine is CC1CCCC(NCCCC2CCCO2)C1.
What is the InChIKey of 3-methyl-N-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The InChIKey is UQEBRPPGIUYILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12-5-2-6-13(11-12)15-9-3-7-14-8-4-10-16-14/h12-15H,2-11H2,1H3.
What are the key properties of 3-methyl-N-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
3-methyl-N-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 65163773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).