N'-Cyclohexyl-N,N-dimethyl-1,3-propanediamine

C11H24N2 — CID 51302

IUPACN-cyclohexyl-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNC1CCCCC1
InChIInChI=1S/C11H24N2/c1-13(2)10-6-9-12-11-7-4-3-5-8-11/h11-12H,3-10H2,1-2H3
InChIKeyNLJGWGDUZPHZQK-UHFFFAOYSA-N
MW184.32 g/mol
LogP2.00
Rot. Bonds5

About N'-Cyclohexyl-N,N-dimethyl-1,3-propanediamine

N'-Cyclohexyl-N,N-dimethyl-1,3-propanediamine (PubChem CID 51302) has the molecular formula C11H24N2 and a molecular weight of 184.32 g/mol. Its IUPAC name is N-cyclohexyl-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-Cyclohexyl-N,N-dimethyl-1,3-propanediamine
PubChem CID51302
Molecular FormulaC11H24N2
Molecular Weight184.32 g/mol
Exact Mass184.19
IUPAC NameN-cyclohexyl-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNC1CCCCC1
InChIInChI=1S/C11H24N2/c1-13(2)10-6-9-12-11-7-4-3-5-8-11/h11-12H,3-10H2,1-2H3
InChIKeyNLJGWGDUZPHZQK-UHFFFAOYSA-N
XLogP2.00
TPSA15.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity117

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 52.00
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-Ethyl cyclohexylamine
CID 21609
Novoldiamine
CID 78953
Cyclohexylisopropylamine
CID 62386
N-Cyclohexyl-1,3-propanediamine
CID 18718
N-Butyl cyclohexylamine
CID 24946
N-ethylcyclohexanamine hydrochloride
CID 162937
N,N-Diethyl-1,4-cyclohexanediamine
CID 349884
N,N-Dimethylpiperidin-4-amine
CID 417391
1-Methyl-4-(methylamino)piperidine
CID 566323
1-(Propan-2-yl)piperidin-4-amine
CID 3163333
N-tert-butylcyclohexylamine
CID 103920
N-Cyclohexyl-1,2-ethanediamine
CID 21922

Frequently Asked Questions

What is the IUPAC name of N'-Cyclohexyl-N,N-dimethyl-1,3-propanediamine?
The IUPAC name of N'-Cyclohexyl-N,N-dimethyl-1,3-propanediamine (CID 51302) is N-cyclohexyl-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-Cyclohexyl-N,N-dimethyl-1,3-propanediamine?
The canonical SMILES for N'-Cyclohexyl-N,N-dimethyl-1,3-propanediamine is CN(C)CCCNC1CCCCC1.
What is the InChIKey of N'-Cyclohexyl-N,N-dimethyl-1,3-propanediamine?
The InChIKey is NLJGWGDUZPHZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-13(2)10-6-9-12-11-7-4-3-5-8-11/h11-12H,3-10H2,1-2H3.
What are the key properties of N'-Cyclohexyl-N,N-dimethyl-1,3-propanediamine?
N'-Cyclohexyl-N,N-dimethyl-1,3-propanediamine has a molecular weight of 184.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-Cyclohexyl-N,N-dimethyl-1,3-propanediamine is sourced from PubChem (CID 51302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).