N-[(1-methoxycyclobutyl)methyl]-4-propylcyclohexan-1-amine

C15H29NO — CID 103991695

IUPACN-[(1-methoxycyclobutyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC2(OC)CCC2)CC1
InChIInChI=1S/C15H29NO/c1-3-5-13-6-8-14(9-7-13)16-12-15(17-2)10-4-11-15/h13-14,16H,3-12H2,1-2H3
InChIKeyLISHGSXBTPTDHS-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds6

About N-[(1-methoxycyclobutyl)methyl]-4-propylcyclohexan-1-amine

N-[(1-methoxycyclobutyl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 103991695) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-4-propylcyclohexan-1-amine
PubChem CID103991695
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC2(OC)CCC2)CC1
InChIInChI=1S/C15H29NO/c1-3-5-13-6-8-14(9-7-13)16-12-15(17-2)10-4-11-15/h13-14,16H,3-12H2,1-2H3
InChIKeyLISHGSXBTPTDHS-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methoxycyclobutyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 105839949
N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 113450023
N-[(1-methoxycyclobutyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 113460022
N-(3-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 114228172
N-[(1-methoxycyclobutyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 121523395
cis-(1R,3S)-N-[(1-methoxycyclobutyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 124573195
trans-(1S,3S)-N-[(1-methoxycyclobutyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 124573196
trans-(1R,3R)-N-[(1-methoxycyclobutyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 124573197
cis-(1S,3R)-N-[(1-methoxycyclobutyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 124573198
N-(2-methoxyethyl)-4-methylcyclohexan-1-amine
CID 2849478
N-[(2R)-1-methoxypropan-2-yl]-4-methylcyclohexan-1-amine
CID 28441727
N-[(2S)-1-methoxypropan-2-yl]-4-methylcyclohexan-1-amine
CID 28441729

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-4-propylcyclohexan-1-amine (CID 103991695) is N-[(1-methoxycyclobutyl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NCC2(OC)CCC2)CC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is LISHGSXBTPTDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-5-13-6-8-14(9-7-13)16-12-15(17-2)10-4-11-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-4-propylcyclohexan-1-amine?
N-[(1-methoxycyclobutyl)methyl]-4-propylcyclohexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 103991695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).