N,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine

C15H32N2 — CID 55069274

IUPACN,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)CN(C)C1CCC(C)CC1
InChIInChI=1S/C15H32N2/c1-5-10-16-11-14(3)12-17(4)15-8-6-13(2)7-9-15/h13-16H,5-12H2,1-4H3
InChIKeyOMBGZVWXVBXHQB-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds7

About N,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine

N,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine (PubChem CID 55069274) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine
PubChem CID55069274
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)CN(C)C1CCC(C)CC1
InChIInChI=1S/C15H32N2/c1-5-10-16-11-14(3)12-17(4)15-8-6-13(2)7-9-15/h13-16H,5-12H2,1-4H3
InChIKeyOMBGZVWXVBXHQB-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol
CID 61437207
2-methyl-3-(4-methylcyclohexyl)-N-propylpropan-1-amine
CID 64776338
1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol
CID 43165778
3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine
CID 103224985
N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-4-yl)propane-1,3-diamine
CID 62432918
N,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine
CID 55074418
1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol
CID 79122269
1-[cyclopropyl(propyl)amino]-3-(propylamino)propan-2-ol
CID 43270304
N'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 65232760
2-N-cycloheptyl-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62433683
N-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63699519
N-cyclopropyl-N-(cyclopropylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine
CID 64520179

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine (CID 55069274) is N,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine is CCCNCC(C)CN(C)C1CCC(C)CC1.
What is the InChIKey of N,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine?
The InChIKey is OMBGZVWXVBXHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-10-16-11-14(3)12-17(4)15-8-6-13(2)7-9-15/h13-16H,5-12H2,1-4H3.
What are the key properties of N,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine?
N,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 55069274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).