N-methyl-5-[(3S)-3-propylcyclohexyl]pentan-1-amine

C15H31N — CID 156519662

IUPACN-methyl-5-[(3S)-3-propylcyclohexyl]pentan-1-amine
SMILESCCC[C@H]1CCCC(CCCCCNC)C1
InChIInChI=1S/C15H31N/c1-3-8-14-10-7-11-15(13-14)9-5-4-6-12-16-2/h14-16H,3-13H2,1-2H3/t14-,15?/m0/s1
InChIKeyXRTZSBCKFMAVIU-MLCCFXAWSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds8

About N-methyl-5-[(3S)-3-propylcyclohexyl]pentan-1-amine

N-methyl-5-[(3S)-3-propylcyclohexyl]pentan-1-amine (PubChem CID 156519662) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-methyl-5-[(3S)-3-propylcyclohexyl]pentan-1-amine.

Molecular Properties

Compound NameN-methyl-5-[(3S)-3-propylcyclohexyl]pentan-1-amine
PubChem CID156519662
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-methyl-5-[(3S)-3-propylcyclohexyl]pentan-1-amine
SMILESCCC[C@H]1CCCC(CCCCCNC)C1
InChIInChI=1S/C15H31N/c1-3-8-14-10-7-11-15(13-14)9-5-4-6-12-16-2/h14-16H,3-13H2,1-2H3/t14-,15?/m0/s1
InChIKeyXRTZSBCKFMAVIU-MLCCFXAWSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-diheptylcyclohexane
CID 19973333
1,3-dipentylcyclohexane
CID 54105663
N-methyl-5-(4-methylcyclohexyl)pentan-1-amine
CID 91473840
1-ethyl-3-propylcyclohexane
CID 22129036
4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde
CID 88960037
3-cyclohexyl-N-methylpropan-1-amine
CID 3028091
3-cyclopentyl-N-methylpropan-1-amine;hydrochloride
CID 75530738
N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine
CID 70916013
trans-(1R,3R)-1-heptyl-3-(4-propylcyclohexyl)cyclohexane
CID 18640305
3-(3-ethylcyclobutyl)-N-methylpropan-1-amine
CID 169125304
1-methyl-3-octadecylcyclohexane
CID 175465709
2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine
CID 142152689

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(3S)-3-propylcyclohexyl]pentan-1-amine?
The IUPAC name of N-methyl-5-[(3S)-3-propylcyclohexyl]pentan-1-amine (CID 156519662) is N-methyl-5-[(3S)-3-propylcyclohexyl]pentan-1-amine.
What is the SMILES notation for N-methyl-5-[(3S)-3-propylcyclohexyl]pentan-1-amine?
The canonical SMILES for N-methyl-5-[(3S)-3-propylcyclohexyl]pentan-1-amine is CCC[C@H]1CCCC(CCCCCNC)C1.
What is the InChIKey of N-methyl-5-[(3S)-3-propylcyclohexyl]pentan-1-amine?
The InChIKey is XRTZSBCKFMAVIU-MLCCFXAWSA-N. The full InChI is InChI=1S/C15H31N/c1-3-8-14-10-7-11-15(13-14)9-5-4-6-12-16-2/h14-16H,3-13H2,1-2H3/t14-,15?/m0/s1.
What are the key properties of N-methyl-5-[(3S)-3-propylcyclohexyl]pentan-1-amine?
N-methyl-5-[(3S)-3-propylcyclohexyl]pentan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(3S)-3-propylcyclohexyl]pentan-1-amine is sourced from PubChem (CID 156519662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).