N-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine

C20H39N — CID 81034865

IUPACN-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CCC)CC1C1CCCC(C)C1
InChIInChI=1S/C20H39N/c1-4-7-17-10-11-19(15-21-12-5-2)20(14-17)18-9-6-8-16(3)13-18/h16-21H,4-15H2,1-3H3
InChIKeyIJXULRNTYRDELP-UHFFFAOYSA-N
MW293.54 g/mol
LogP5.64
Rot. Bonds7

About N-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine

N-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine (PubChem CID 81034865) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is N-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine
PubChem CID81034865
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC NameN-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CCC)CC1C1CCCC(C)C1
InChIInChI=1S/C20H39N/c1-4-7-17-10-11-19(15-21-12-5-2)20(14-17)18-9-6-8-16(3)13-18/h16-21H,4-15H2,1-3H3
InChIKeyIJXULRNTYRDELP-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 55.64
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-[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]-N-methylmethanamine
CID 81031697
N-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine
CID 81029060
N-[[2-(3-ethylcyclohexyl)cyclohexyl]methyl]propan-1-amine
CID 81026761
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
(2R)-N-methyl-N-[[6-[2-[[(5R)-5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methylamino]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl]-5-(methylaminomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 155331882
N-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine
CID 81033857
1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81025745
N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029901
N-[[2-(3-methylsulfonylcyclohexyl)cyclobutyl]methyl]propan-1-amine
CID 81017516
2-methyl-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22886811
N-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine
CID 81026009
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine (CID 81034865) is N-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine is CCCNCC1CCC(CCC)CC1C1CCCC(C)C1.
What is the InChIKey of N-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine?
The InChIKey is IJXULRNTYRDELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-4-7-17-10-11-19(15-21-12-5-2)20(14-17)18-9-6-8-16(3)13-18/h16-21H,4-15H2,1-3H3.
What are the key properties of N-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine?
N-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine has a molecular weight of 293.54 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81034865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).