N',N'-dimethyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propane-1,3-diamine

C15H30N2 — CID 3110819

IUPACN',N'-dimethyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propane-1,3-diamine
SMILESCC1=CC(C)C(CNCCCN(C)C)C(C)C1
InChIInChI=1S/C15H30N2/c1-12-9-13(2)15(14(3)10-12)11-16-7-6-8-17(4)5/h9,13-16H,6-8,10-11H2,1-5H3
InChIKeyTZIMJQBDMVLZIZ-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.77
Rot. Bonds6

About N',N'-dimethyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propane-1,3-diamine

N',N'-dimethyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propane-1,3-diamine (PubChem CID 3110819) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propane-1,3-diamine
PubChem CID3110819
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN',N'-dimethyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propane-1,3-diamine
SMILESCC1=CC(C)C(CNCCCN(C)C)C(C)C1
InChIInChI=1S/C15H30N2/c1-12-9-13(2)15(14(3)10-12)11-16-7-6-8-17(4)5/h9,13-16H,6-8,10-11H2,1-5H3
InChIKeyTZIMJQBDMVLZIZ-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propane-1,3-diamine (CID 3110819) is N',N'-dimethyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propane-1,3-diamine is CC1=CC(C)C(CNCCCN(C)C)C(C)C1.
What is the InChIKey of N',N'-dimethyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propane-1,3-diamine?
The InChIKey is TZIMJQBDMVLZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12-9-13(2)15(14(3)10-12)11-16-7-6-8-17(4)5/h9,13-16H,6-8,10-11H2,1-5H3.
What are the key properties of N',N'-dimethyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propane-1,3-diamine?
N',N'-dimethyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propane-1,3-diamine has a molecular weight of 238.42 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 3110819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).