N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine

C14H30N2 — CID 62461166

IUPACN,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine
SMILESCNCCCCCN(C)C1CCCCC1C
InChIInChI=1S/C14H30N2/c1-13-9-5-6-10-14(13)16(3)12-8-4-7-11-15-2/h13-15H,4-12H2,1-3H3
InChIKeyDCUMTJSNSOHMEY-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds7

About N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine

N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine (PubChem CID 62461166) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine
PubChem CID62461166
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine
SMILESCNCCCCCN(C)C1CCCCC1C
InChIInChI=1S/C14H30N2/c1-13-9-5-6-10-14(13)16(3)12-8-4-7-11-15-2/h13-15H,4-12H2,1-3H3
InChIKeyDCUMTJSNSOHMEY-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
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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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine?
The IUPAC name of N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine (CID 62461166) is N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine is CNCCCCCN(C)C1CCCCC1C.
What is the InChIKey of N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine?
The InChIKey is DCUMTJSNSOHMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-13-9-5-6-10-14(13)16(3)12-8-4-7-11-15-2/h13-15H,4-12H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine?
N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine is sourced from PubChem (CID 62461166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).