N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclohexanamine

C17H31NO — CID 62572372

IUPACN-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclohexanamine
SMILESCC1CC=CCC1COCCCNC1CCCCC1
InChIInChI=1S/C17H31NO/c1-15-8-5-6-9-16(15)14-19-13-7-12-18-17-10-3-2-4-11-17/h5-6,15-18H,2-4,7-14H2,1H3
InChIKeyCBAFLYZKVAIRFU-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.92
Rot. Bonds7

About N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclohexanamine

N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclohexanamine (PubChem CID 62572372) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclohexanamine
PubChem CID62572372
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclohexanamine
SMILESCC1CC=CCC1COCCCNC1CCCCC1
InChIInChI=1S/C17H31NO/c1-15-8-5-6-9-16(15)14-19-13-7-12-18-17-10-3-2-4-11-17/h5-6,15-18H,2-4,7-14H2,1H3
InChIKeyCBAFLYZKVAIRFU-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine
CID 71069597
(6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene
CID 122597382
4-methyl-N-[4-(oxan-4-ylidene)butyl]hexan-2-amine
CID 123759937
3-ethenyl-N-[4-(methoxymethyl)hexan-3-yl]-2,4-dimethylhexan-1-amine
CID 170017439
N-(cyclohexa-1,5-dien-1-ylmethyl)-3-ethyloxan-4-amine;molecular hydrogen
CID 178769347
[6-(Cyclohexylamino)cyclohex-3-en-1-yl]methanol
CID 13950937
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine
CID 28674377
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine
CID 28674381
N-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine
CID 43081150
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxypropan-1-amine
CID 43180696
(Cyclohex-3-en-1-ylmethyl)(3-methoxypropyl)amine
CID 43182321
N-(cyclohex-3-en-1-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 43182584

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclohexanamine?
The IUPAC name of N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclohexanamine (CID 62572372) is N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclohexanamine.
What is the SMILES notation for N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclohexanamine?
The canonical SMILES for N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclohexanamine is CC1CC=CCC1COCCCNC1CCCCC1.
What is the InChIKey of N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclohexanamine?
The InChIKey is CBAFLYZKVAIRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-15-8-5-6-9-16(15)14-19-13-7-12-18-17-10-3-2-4-11-17/h5-6,15-18H,2-4,7-14H2,1H3.
What are the key properties of N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclohexanamine?
N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclohexanamine has a molecular weight of 265.44 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]cyclohexanamine is sourced from PubChem (CID 62572372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).