2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine

C14H27NO — CID 115868513

IUPAC2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCC(CNCCOCC2CC2)CC1
InChIInChI=1S/C14H27NO/c1-12-2-4-13(5-3-12)10-15-8-9-16-11-14-6-7-14/h12-15H,2-11H2,1H3
InChIKeyDSHYBVAWZHNREV-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.83
Rot. Bonds7

About 2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine

2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine (PubChem CID 115868513) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
PubChem CID115868513
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCC(CNCCOCC2CC2)CC1
InChIInChI=1S/C14H27NO/c1-12-2-4-13(5-3-12)10-15-8-9-16-11-14-6-7-14/h12-15H,2-11H2,1H3
InChIKeyDSHYBVAWZHNREV-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine
CID 62599762
2-butoxy-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63243752
N-(cyclopropylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 63001385
3-[(4-methylcyclohexyl)methylamino]propan-1-ol
CID 63243568
2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 104668516
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727
N-[2-(cyclopropylmethoxy)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 104531141
N-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)ethanamine
CID 62584968
N-[2-(cyclopropylmethoxy)ethyl]-4-methylpiperidine-1-carboxamide
CID 113233568
N-[(4-methylcyclohexyl)methyl]decan-1-amine
CID 63490905
2-(cyclobutylmethoxy)-N-ethylethanamine
CID 65457853
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine (CID 115868513) is 2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine is CC1CCC(CNCCOCC2CC2)CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is DSHYBVAWZHNREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12-2-4-13(5-3-12)10-15-8-9-16-11-14-6-7-14/h12-15H,2-11H2,1H3.
What are the key properties of 2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine?
2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 225.38 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 115868513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).