N-(cyclohex-3-en-1-ylmethyl)-1-methoxy-4-methylpentan-3-amine

C14H27NO — CID 115713339

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-methoxy-4-methylpentan-3-amine
SMILESCOCCC(NCC1CC=CCC1)C(C)C
InChIInChI=1S/C14H27NO/c1-12(2)14(9-10-16-3)15-11-13-7-5-4-6-8-13/h4-5,12-15H,6-11H2,1-3H3
InChIKeyFTFDYFQVBKBDIR-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.99
Rot. Bonds7

About N-(cyclohex-3-en-1-ylmethyl)-1-methoxy-4-methylpentan-3-amine

N-(cyclohex-3-en-1-ylmethyl)-1-methoxy-4-methylpentan-3-amine (PubChem CID 115713339) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-methoxy-4-methylpentan-3-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-methoxy-4-methylpentan-3-amine
PubChem CID115713339
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-methoxy-4-methylpentan-3-amine
SMILESCOCCC(NCC1CC=CCC1)C(C)C
InChIInChI=1S/C14H27NO/c1-12(2)14(9-10-16-3)15-11-13-7-5-4-6-8-13/h4-5,12-15H,6-11H2,1-3H3
InChIKeyFTFDYFQVBKBDIR-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-N-(cyclohex-3-en-1-ylmethyl)-3-methylbutane-1,2-diamine
CID 106345090
(4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol
CID 97051708
N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43223359
1-cyclobutyl-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine
CID 115713345
2-(cyclohex-3-en-1-ylmethylamino)propanoic acid
CID 61499571
methyl 2-(cyclohex-3-en-1-ylmethylamino)-4-methylpentanoate
CID 43688891
(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43225625
(4R)-4-(methoxymethyl)cyclohexene
CID 124567710
1-cyclohex-3-en-1-yl-N-(2-methylpropoxy)methanamine
CID 82712039
1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
CID 103838373
(2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide
CID 103838457

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-methoxy-4-methylpentan-3-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-methoxy-4-methylpentan-3-amine (CID 115713339) is N-(cyclohex-3-en-1-ylmethyl)-1-methoxy-4-methylpentan-3-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-methoxy-4-methylpentan-3-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-methoxy-4-methylpentan-3-amine is COCCC(NCC1CC=CCC1)C(C)C.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-methoxy-4-methylpentan-3-amine?
The InChIKey is FTFDYFQVBKBDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)14(9-10-16-3)15-11-13-7-5-4-6-8-13/h4-5,12-15H,6-11H2,1-3H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-methoxy-4-methylpentan-3-amine?
N-(cyclohex-3-en-1-ylmethyl)-1-methoxy-4-methylpentan-3-amine has a molecular weight of 225.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-methoxy-4-methylpentan-3-amine is sourced from PubChem (CID 115713339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).