N-(3,3-dimethylpent-1-en-2-yl)-N',N'-dimethylpropane-1,3-diamine

C12H26N2 — CID 87103401

IUPACN-(3,3-dimethylpent-1-en-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESC=C(NCCCN(C)C)C(C)(C)CC
InChIInChI=1S/C12H26N2/c1-7-12(3,4)11(2)13-9-8-10-14(5)6/h13H,2,7-10H2,1,3-6H3
InChIKeySVHHWXMKWXLBQD-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.48
Rot. Bonds7

About N-(3,3-dimethylpent-1-en-2-yl)-N',N'-dimethylpropane-1,3-diamine

N-(3,3-dimethylpent-1-en-2-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 87103401) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-(3,3-dimethylpent-1-en-2-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(3,3-dimethylpent-1-en-2-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID87103401
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-(3,3-dimethylpent-1-en-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESC=C(NCCCN(C)C)C(C)(C)CC
InChIInChI=1S/C12H26N2/c1-7-12(3,4)11(2)13-9-8-10-14(5)6/h13H,2,7-10H2,1,3-6H3
InChIKeySVHHWXMKWXLBQD-UHFFFAOYSA-N
XLogP2.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,3-dimethylpent-1-en-2-yl)-N',N'-dimethylpropane-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-(3,3-dimethylpent-1-en-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(3,3-dimethylpent-1-en-2-yl)-N',N'-dimethylpropane-1,3-diamine (CID 87103401) is N-(3,3-dimethylpent-1-en-2-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(3,3-dimethylpent-1-en-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(3,3-dimethylpent-1-en-2-yl)-N',N'-dimethylpropane-1,3-diamine is C=C(NCCCN(C)C)C(C)(C)CC.
What is the InChIKey of N-(3,3-dimethylpent-1-en-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is SVHHWXMKWXLBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-7-12(3,4)11(2)13-9-8-10-14(5)6/h13H,2,7-10H2,1,3-6H3.
What are the key properties of N-(3,3-dimethylpent-1-en-2-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(3,3-dimethylpent-1-en-2-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylpent-1-en-2-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 87103401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).