1-N',1-N'-dimethyl-1-N-propylethene-1,1-diamine;2-methylhept-1-ene

C15H32N2 — CID 142050962

IUPAC1-N',1-N'-dimethyl-1-N-propylethene-1,1-diamine;2-methylhept-1-ene
SMILESC=C(C)CCCCC.C=C(NCCC)N(C)C
InChIInChI=1S/C8H16.C7H16N2/c1-4-5-6-7-8(2)3;1-5-6-8-7(2)9(3)4/h2,4-7H2,1,3H3;8H,2,5-6H2,1,3-4H3
InChIKeyXKFBGZOXBUGWGO-UHFFFAOYSA-N
MW240.43 g/mol
LogP4.16
Rot. Bonds8

About 1-N',1-N'-dimethyl-1-N-propylethene-1,1-diamine;2-methylhept-1-ene

1-N',1-N'-dimethyl-1-N-propylethene-1,1-diamine;2-methylhept-1-ene (PubChem CID 142050962) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-N',1-N'-dimethyl-1-N-propylethene-1,1-diamine;2-methylhept-1-ene.

Molecular Properties

Compound Name1-N',1-N'-dimethyl-1-N-propylethene-1,1-diamine;2-methylhept-1-ene
PubChem CID142050962
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-N',1-N'-dimethyl-1-N-propylethene-1,1-diamine;2-methylhept-1-ene
SMILESC=C(C)CCCCC.C=C(NCCC)N(C)C
InChIInChI=1S/C8H16.C7H16N2/c1-4-5-6-7-8(2)3;1-5-6-8-7(2)9(3)4/h2,4-7H2,1,3H3;8H,2,5-6H2,1,3-4H3
InChIKeyXKFBGZOXBUGWGO-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.16
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 1-N',1-N'-dimethyl-1-N-propylethene-1,1-diamine;2-methylhept-1-ene 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 1-N',1-N'-dimethyl-1-N-propylethene-1,1-diamine;2-methylhept-1-ene?
The IUPAC name of 1-N',1-N'-dimethyl-1-N-propylethene-1,1-diamine;2-methylhept-1-ene (CID 142050962) is 1-N',1-N'-dimethyl-1-N-propylethene-1,1-diamine;2-methylhept-1-ene.
What is the SMILES notation for 1-N',1-N'-dimethyl-1-N-propylethene-1,1-diamine;2-methylhept-1-ene?
The canonical SMILES for 1-N',1-N'-dimethyl-1-N-propylethene-1,1-diamine;2-methylhept-1-ene is C=C(C)CCCCC.C=C(NCCC)N(C)C.
What is the InChIKey of 1-N',1-N'-dimethyl-1-N-propylethene-1,1-diamine;2-methylhept-1-ene?
The InChIKey is XKFBGZOXBUGWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C7H16N2/c1-4-5-6-7-8(2)3;1-5-6-8-7(2)9(3)4/h2,4-7H2,1,3H3;8H,2,5-6H2,1,3-4H3.
What are the key properties of 1-N',1-N'-dimethyl-1-N-propylethene-1,1-diamine;2-methylhept-1-ene?
1-N',1-N'-dimethyl-1-N-propylethene-1,1-diamine;2-methylhept-1-ene has a molecular weight of 240.43 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-dimethyl-1-N-propylethene-1,1-diamine;2-methylhept-1-ene is sourced from PubChem (CID 142050962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).