N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine

C12H26N2 — CID 62559758

IUPACN'-(cyclohexylmethyl)-N-propylethane-1,2-diamine
SMILESCCCNCCNCC1CCCCC1
InChIInChI=1S/C12H26N2/c1-2-8-13-9-10-14-11-12-6-4-3-5-7-12/h12-14H,2-11H2,1H3
InChIKeyVJFVLUHBKYPZCQ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.16
Rot. Bonds7

About N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine

N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine (PubChem CID 62559758) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-N-propylethane-1,2-diamine
PubChem CID62559758
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-(cyclohexylmethyl)-N-propylethane-1,2-diamine
SMILESCCCNCCNCC1CCCCC1
InChIInChI=1S/C12H26N2/c1-2-8-13-9-10-14-11-12-6-4-3-5-7-12/h12-14H,2-11H2,1H3
InChIKeyVJFVLUHBKYPZCQ-UHFFFAOYSA-N
XLogP2.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.16
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-(cyclopentylmethyl)decan-1-amine
CID 63489737
N'-[2-(cyclopentylmethylamino)ethyl]ethane-1,2-diamine
CID 59819099
N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine
CID 123988993
N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
CID 63506241
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
2-(cycloundecylmethylamino)ethanol
CID 123930521
N'-(4-cycloheptylbutyl)-N-propylpropane-1,3-diamine
CID 91402208
N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine
CID 63686610
N-(cyclobutylmethyl)-2-cyclohexylethanamine
CID 65457561
N-(cyclobutylmethyl)heptan-1-amine
CID 43298237
5-(cyclohexylmethoxy)-N-propylpentan-1-amine
CID 62485454
N-(cyclopentylmethyl)-2-ethylsulfinylethanamine
CID 115907341

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine (CID 62559758) is N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine is CCCNCCNCC1CCCCC1.
What is the InChIKey of N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine?
The InChIKey is VJFVLUHBKYPZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-2-8-13-9-10-14-11-12-6-4-3-5-7-12/h12-14H,2-11H2,1H3.
What are the key properties of N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine?
N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 62559758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).