N'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine

C14H30N2 — CID 107178371

IUPACN'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine
SMILESCCCNCCNCC1CCCCC1(C)C
InChIInChI=1S/C14H30N2/c1-4-9-15-10-11-16-12-13-7-5-6-8-14(13,2)3/h13,15-16H,4-12H2,1-3H3
InChIKeyQLIAPPVXNDFLFN-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.79
Rot. Bonds7

About N'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine

N'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine (PubChem CID 107178371) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine
PubChem CID107178371
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine
SMILESCCCNCCNCC1CCCCC1(C)C
InChIInChI=1S/C14H30N2/c1-4-9-15-10-11-16-12-13-7-5-6-8-14(13,2)3/h13,15-16H,4-12H2,1-3H3
InChIKeyQLIAPPVXNDFLFN-UHFFFAOYSA-N
XLogP2.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine
CID 107178474
N-[(2,2-dimethylcyclohexyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 107178393
N'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine
CID 107178361
N-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine
CID 79862677
1-(2,2-dimethylcycloheptyl)-N-methylmethanamine
CID 83905807
N'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine
CID 107001505
N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine
CID 62559758
1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine
CID 107178329
2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79828821
N-[(2,2-dimethylcyclopentyl)methyl]cycloheptanamine
CID 107178325
[(1S)-2,2-dimethylcyclohexyl]methanamine
CID 90019536
(2,2-dimethylcyclohexyl)methanamine
CID 22484483

Frequently Asked Questions

What is the IUPAC name of N'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine?
The IUPAC name of N'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine (CID 107178371) is N'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine?
The canonical SMILES for N'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine is CCCNCCNCC1CCCCC1(C)C.
What is the InChIKey of N'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine?
The InChIKey is QLIAPPVXNDFLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-9-15-10-11-16-12-13-7-5-6-8-14(13,2)3/h13,15-16H,4-12H2,1-3H3.
What are the key properties of N'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine?
N'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine is sourced from PubChem (CID 107178371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).