(2E)-2,4-dimethylpenta-2,4-dien-1-amine

C7H13N — CID 126656213

IUPAC(2E)-2,4-dimethylpenta-2,4-dien-1-amine
SMILESC=C(C)/C=C(\C)CN
InChIInChI=1S/C7H13N/c1-6(2)4-7(3)5-8/h4H,1,5,8H2,2-3H3/b7-4+
InChIKeyDXZZYMDHWUYMOL-QPJJXVBHSA-N
MW111.19 g/mol
LogP1.47
Rot. Bonds2

About (2E)-2,4-dimethylpenta-2,4-dien-1-amine

(2E)-2,4-dimethylpenta-2,4-dien-1-amine (PubChem CID 126656213) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (2E)-2,4-dimethylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-2,4-dimethylpenta-2,4-dien-1-amine
PubChem CID126656213
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(2E)-2,4-dimethylpenta-2,4-dien-1-amine
SMILESC=C(C)/C=C(\C)CN
InChIInChI=1S/C7H13N/c1-6(2)4-7(3)5-8/h4H,1,5,8H2,2-3H3/b7-4+
InChIKeyDXZZYMDHWUYMOL-QPJJXVBHSA-N
XLogP1.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-2,4-dimethylhexa-1,3-diene;ethane
CID 145177084
2,6-dimethylhepta-2,4,6-trien-1-amine
CID 123608540
(2Z)-2-(ethylideneamino)-4-methylpenta-2,4-dien-1-amine
CID 142082963
ethane;(E)-2-methylbut-2-en-1-amine
CID 143126419
ethyl (Z)-4-amino-3-methylbut-2-enoate
CID 87890054
(4Z,6Z)-4,6,8-trimethylnona-4,6,8-trien-2-one
CID 142133911
2-[carboxymethyl-[(2E)-2,4-dimethylpenta-2,4-dienyl]amino]acetic acid
CID 129147798
2,7-dimethylocta-2,7-dien-1-amine
CID 550648
(1E)-1-amino-3-methylbuta-1,3-dien-1-ol;ethane
CID 142851465
2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
2,4-dimethylpenta-1,3-diene;rhodium
CID 175138892
2,4,4-trimethylpent-2-en-1-amine
CID 79330157

Frequently Asked Questions

What is the IUPAC name of (2E)-2,4-dimethylpenta-2,4-dien-1-amine?
The IUPAC name of (2E)-2,4-dimethylpenta-2,4-dien-1-amine (CID 126656213) is (2E)-2,4-dimethylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-2,4-dimethylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-2,4-dimethylpenta-2,4-dien-1-amine is C=C(C)/C=C(\C)CN.
What is the InChIKey of (2E)-2,4-dimethylpenta-2,4-dien-1-amine?
The InChIKey is DXZZYMDHWUYMOL-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H13N/c1-6(2)4-7(3)5-8/h4H,1,5,8H2,2-3H3/b7-4+.
What are the key properties of (2E)-2,4-dimethylpenta-2,4-dien-1-amine?
(2E)-2,4-dimethylpenta-2,4-dien-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2,4-dimethylpenta-2,4-dien-1-amine is sourced from PubChem (CID 126656213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).