3-N-but-1-en-2-yl-2,5-dimethyl-4-methylidenehexane-1,3-diamine

C13H26N2 — CID 129068022

IUPAC3-N-but-1-en-2-yl-2,5-dimethyl-4-methylidenehexane-1,3-diamine
SMILESC=C(CC)NC(C(=C)C(C)C)C(C)CN
InChIInChI=1S/C13H26N2/c1-7-11(5)15-13(10(4)8-14)12(6)9(2)3/h9-10,13,15H,5-8,14H2,1-4H3
InChIKeyOWGJYINBTUPCNQ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.68
Rot. Bonds7

About 3-N-but-1-en-2-yl-2,5-dimethyl-4-methylidenehexane-1,3-diamine

3-N-but-1-en-2-yl-2,5-dimethyl-4-methylidenehexane-1,3-diamine (PubChem CID 129068022) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-N-but-1-en-2-yl-2,5-dimethyl-4-methylidenehexane-1,3-diamine.

Molecular Properties

Compound Name3-N-but-1-en-2-yl-2,5-dimethyl-4-methylidenehexane-1,3-diamine
PubChem CID129068022
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name3-N-but-1-en-2-yl-2,5-dimethyl-4-methylidenehexane-1,3-diamine
SMILESC=C(CC)NC(C(=C)C(C)C)C(C)CN
InChIInChI=1S/C13H26N2/c1-7-11(5)15-13(10(4)8-14)12(6)9(2)3/h9-10,13,15H,5-8,14H2,1-4H3
InChIKeyOWGJYINBTUPCNQ-UHFFFAOYSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-but-1-en-2-yl-2,5-dimethyl-4-methylidenehexane-1,3-diamine?
The IUPAC name of 3-N-but-1-en-2-yl-2,5-dimethyl-4-methylidenehexane-1,3-diamine (CID 129068022) is 3-N-but-1-en-2-yl-2,5-dimethyl-4-methylidenehexane-1,3-diamine.
What is the SMILES notation for 3-N-but-1-en-2-yl-2,5-dimethyl-4-methylidenehexane-1,3-diamine?
The canonical SMILES for 3-N-but-1-en-2-yl-2,5-dimethyl-4-methylidenehexane-1,3-diamine is C=C(CC)NC(C(=C)C(C)C)C(C)CN.
What is the InChIKey of 3-N-but-1-en-2-yl-2,5-dimethyl-4-methylidenehexane-1,3-diamine?
The InChIKey is OWGJYINBTUPCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-7-11(5)15-13(10(4)8-14)12(6)9(2)3/h9-10,13,15H,5-8,14H2,1-4H3.
What are the key properties of 3-N-but-1-en-2-yl-2,5-dimethyl-4-methylidenehexane-1,3-diamine?
3-N-but-1-en-2-yl-2,5-dimethyl-4-methylidenehexane-1,3-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-but-1-en-2-yl-2,5-dimethyl-4-methylidenehexane-1,3-diamine is sourced from PubChem (CID 129068022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).