N',N'-dimethyl-N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl]propane-1,3-diamine

C19H36N2 — CID 2855628

IUPACN',N'-dimethyl-N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl]propane-1,3-diamine
SMILESCC(C)=CCCC1=CCC(CNCCCN(C)C)C(C)C1
InChIInChI=1S/C19H36N2/c1-16(2)8-6-9-18-10-11-19(17(3)14-18)15-20-12-7-13-21(4)5/h8,10,17,19-20H,6-7,9,11-15H2,1-5H3
InChIKeyRFROODWOQYPGPX-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.25
Rot. Bonds9

About N',N'-dimethyl-N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl]propane-1,3-diamine

N',N'-dimethyl-N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl]propane-1,3-diamine (PubChem CID 2855628) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N',N'-dimethyl-N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl]propane-1,3-diamine
PubChem CID2855628
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN',N'-dimethyl-N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl]propane-1,3-diamine
SMILESCC(C)=CCCC1=CCC(CNCCCN(C)C)C(C)C1
InChIInChI=1S/C19H36N2/c1-16(2)8-6-9-18-10-11-19(17(3)14-18)15-20-12-7-13-21(4)5/h8,10,17,19-20H,6-7,9,11-15H2,1-5H3
InChIKeyRFROODWOQYPGPX-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.25
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-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-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-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl]propane-1,3-diamine (CID 2855628) is N',N'-dimethyl-N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl]propane-1,3-diamine is CC(C)=CCCC1=CCC(CNCCCN(C)C)C(C)C1.
What is the InChIKey of N',N'-dimethyl-N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl]propane-1,3-diamine?
The InChIKey is RFROODWOQYPGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-16(2)8-6-9-18-10-11-19(17(3)14-18)15-20-12-7-13-21(4)5/h8,10,17,19-20H,6-7,9,11-15H2,1-5H3.
What are the key properties of N',N'-dimethyl-N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl]propane-1,3-diamine?
N',N'-dimethyl-N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl]propane-1,3-diamine has a molecular weight of 292.51 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 2855628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).