N-(1-methoxy-4-methylpentan-3-yl)-3-methylcyclohexan-1-amine

C14H29NO — CID 115728275

IUPACN-(1-methoxy-4-methylpentan-3-yl)-3-methylcyclohexan-1-amine
SMILESCOCCC(NC1CCCC(C)C1)C(C)C
InChIInChI=1S/C14H29NO/c1-11(2)14(8-9-16-4)15-13-7-5-6-12(3)10-13/h11-15H,5-10H2,1-4H3
InChIKeyHAHDGHNSPFCIDS-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds6

About N-(1-methoxy-4-methylpentan-3-yl)-3-methylcyclohexan-1-amine

N-(1-methoxy-4-methylpentan-3-yl)-3-methylcyclohexan-1-amine (PubChem CID 115728275) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(1-methoxy-4-methylpentan-3-yl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-methoxy-4-methylpentan-3-yl)-3-methylcyclohexan-1-amine
PubChem CID115728275
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(1-methoxy-4-methylpentan-3-yl)-3-methylcyclohexan-1-amine
SMILESCOCCC(NC1CCCC(C)C1)C(C)C
InChIInChI=1S/C14H29NO/c1-11(2)14(8-9-16-4)15-13-7-5-6-12(3)10-13/h11-15H,5-10H2,1-4H3
InChIKeyHAHDGHNSPFCIDS-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methoxy-4-methylpentan-3-yl)oxan-4-amine
CID 115710262
3-methyl-N-(5-methylhexan-2-yl)cyclohexan-1-amine
CID 43079319
N-(1-ethoxy-3-methylbutan-2-yl)-3-methylcyclopentan-1-amine
CID 103271735
(2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol
CID 93082959
cis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine
CID 95368713
3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
CID 61483630
4-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine
CID 65088356
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylcyclohexan-1-amine
CID 113426900
N-[di(cyclobutyl)methyl]-3-methylcyclohexan-1-amine
CID 112743180
N-(1-cyclohexylethyl)-3-methylcyclohexan-1-amine
CID 43775460
3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol
CID 115656026
N-[1-(2-methoxyethoxy)propan-2-yl]-3-methylcyclopentan-1-amine
CID 115891950

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-4-methylpentan-3-yl)-3-methylcyclohexan-1-amine?
The IUPAC name of N-(1-methoxy-4-methylpentan-3-yl)-3-methylcyclohexan-1-amine (CID 115728275) is N-(1-methoxy-4-methylpentan-3-yl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-(1-methoxy-4-methylpentan-3-yl)-3-methylcyclohexan-1-amine?
The canonical SMILES for N-(1-methoxy-4-methylpentan-3-yl)-3-methylcyclohexan-1-amine is COCCC(NC1CCCC(C)C1)C(C)C.
What is the InChIKey of N-(1-methoxy-4-methylpentan-3-yl)-3-methylcyclohexan-1-amine?
The InChIKey is HAHDGHNSPFCIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(2)14(8-9-16-4)15-13-7-5-6-12(3)10-13/h11-15H,5-10H2,1-4H3.
What are the key properties of N-(1-methoxy-4-methylpentan-3-yl)-3-methylcyclohexan-1-amine?
N-(1-methoxy-4-methylpentan-3-yl)-3-methylcyclohexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-4-methylpentan-3-yl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 115728275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).