N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine

C15H29NO — CID 28718710

IUPACN-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NCCCOCC2CC2)CC1
InChIInChI=1S/C15H29NO/c1-2-13-6-8-15(9-7-13)16-10-3-11-17-12-14-4-5-14/h13-16H,2-12H2,1H3
InChIKeyZBFPODKAKPURIR-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds8

About N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine

N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine (PubChem CID 28718710) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine
PubChem CID28718710
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NCCCOCC2CC2)CC1
InChIInChI=1S/C15H29NO/c1-2-13-6-8-15(9-7-13)16-10-3-11-17-12-14-4-5-14/h13-16H,2-12H2,1H3
InChIKeyZBFPODKAKPURIR-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
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-(cyclopropylmethoxy)propyl]-4-propan-2-ylcyclohexan-1-amine
CID 62703150
N-[3-(cyclopropylmethoxy)propyl]-1-ethylpiperidin-4-amine
CID 28718720
1-N-[3-(cyclopropylmethoxy)propyl]cyclobutane-1,3-diamine
CID 80559624
N-decyl-4-ethylcyclohexan-1-amine
CID 63492402
N-(3-butoxypropyl)cyclopropanamine
CID 62450977
N-[2-(cyclopropylmethoxy)ethyl]-4-methoxycyclohexan-1-amine
CID 104530185
N-[3-(2-ethoxyethoxy)propyl]cyclopropanamine
CID 62445452
3-(cyclopropylmethoxy)-N-methylpropan-1-amine
CID 60697422
N-(2-ethoxyethyl)-4-ethylcycloheptan-1-amine
CID 65084124
4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 115584679
4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
CID 55192738
N-[2-(cyclopropylmethoxy)ethyl]cyclooctanamine
CID 115718328

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine (CID 28718710) is N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine is CCC1CCC(NCCCOCC2CC2)CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine?
The InChIKey is ZBFPODKAKPURIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-13-6-8-15(9-7-13)16-10-3-11-17-12-14-4-5-14/h13-16H,2-12H2,1H3.
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine?
N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 28718710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).