N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine

C19H38N2 — CID 63451987

IUPACN'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
SMILESCC(C)C1CCC(NCCCN(C)C2CCCCC2)CC1
InChIInChI=1S/C19H38N2/c1-16(2)17-10-12-18(13-11-17)20-14-7-15-21(3)19-8-5-4-6-9-19/h16-20H,4-15H2,1-3H3
InChIKeyATQBHVRXPXKMOQ-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.45
Rot. Bonds7

About N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine

N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine (PubChem CID 63451987) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
PubChem CID63451987
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
SMILESCC(C)C1CCC(NCCCN(C)C2CCCCC2)CC1
InChIInChI=1S/C19H38N2/c1-16(2)17-10-12-18(13-11-17)20-14-7-15-21(3)19-8-5-4-6-9-19/h16-20H,4-15H2,1-3H3
InChIKeyATQBHVRXPXKMOQ-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.45
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

N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine
CID 65083055
N'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine
CID 54880266
N'-cyclohexyl-N'-methyl-N-(1-oxothian-4-yl)propane-1,3-diamine
CID 54981732
N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine
CID 60980818
N,N'-dicyclopentyl-N'-methylethane-1,2-diamine
CID 60850716
N'-methyl-N'-(4-propan-2-ylcycloheptyl)propane-1,3-diamine
CID 115318671
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine
CID 60732733
2-[(4-propan-2-ylcycloheptyl)amino]ethanol
CID 65086684
N'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 63098109
N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82753838
N'-cyclohexyl-N'-methyl-N-(3-methylpentan-2-yl)propane-1,3-diamine
CID 54880326

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine (CID 63451987) is N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine is CC(C)C1CCC(NCCCN(C)C2CCCCC2)CC1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine?
The InChIKey is ATQBHVRXPXKMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-16(2)17-10-12-18(13-11-17)20-14-7-15-21(3)19-8-5-4-6-9-19/h16-20H,4-15H2,1-3H3.
What are the key properties of N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine?
N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine has a molecular weight of 294.53 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 63451987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).