N'-(3,4-dimethylpenta-1,3-dien-2-yl)ethane-1,2-diamine

C9H18N2 — CID 134322133

IUPACN'-(3,4-dimethylpenta-1,3-dien-2-yl)ethane-1,2-diamine
SMILESC=C(NCCN)C(C)=C(C)C
InChIInChI=1S/C9H18N2/c1-7(2)8(3)9(4)11-6-5-10/h11H,4-6,10H2,1-3H3
InChIKeyPCVVJYSFBHGDOE-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.40
Rot. Bonds4

About N'-(3,4-dimethylpenta-1,3-dien-2-yl)ethane-1,2-diamine

N'-(3,4-dimethylpenta-1,3-dien-2-yl)ethane-1,2-diamine (PubChem CID 134322133) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-(3,4-dimethylpenta-1,3-dien-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,4-dimethylpenta-1,3-dien-2-yl)ethane-1,2-diamine
PubChem CID134322133
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-(3,4-dimethylpenta-1,3-dien-2-yl)ethane-1,2-diamine
SMILESC=C(NCCN)C(C)=C(C)C
InChIInChI=1S/C9H18N2/c1-7(2)8(3)9(4)11-6-5-10/h11H,4-6,10H2,1-3H3
InChIKeyPCVVJYSFBHGDOE-UHFFFAOYSA-N
XLogP1.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylpenta-1,3-dien-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(3,4-dimethylpenta-1,3-dien-2-yl)ethane-1,2-diamine (CID 134322133) is N'-(3,4-dimethylpenta-1,3-dien-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3,4-dimethylpenta-1,3-dien-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(3,4-dimethylpenta-1,3-dien-2-yl)ethane-1,2-diamine is C=C(NCCN)C(C)=C(C)C.
What is the InChIKey of N'-(3,4-dimethylpenta-1,3-dien-2-yl)ethane-1,2-diamine?
The InChIKey is PCVVJYSFBHGDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)8(3)9(4)11-6-5-10/h11H,4-6,10H2,1-3H3.
What are the key properties of N'-(3,4-dimethylpenta-1,3-dien-2-yl)ethane-1,2-diamine?
N'-(3,4-dimethylpenta-1,3-dien-2-yl)ethane-1,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylpenta-1,3-dien-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 134322133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).