(2E)-3,5,5-trimethylhepta-2,6-dien-1-amine

C10H19N — CID 126733231

IUPAC(2E)-3,5,5-trimethylhepta-2,6-dien-1-amine
SMILESC=CC(C)(C)C/C(C)=C/CN
InChIInChI=1S/C10H19N/c1-5-10(3,4)8-9(2)6-7-11/h5-6H,1,7-8,11H2,2-4H3/b9-6+
InChIKeyXUOSRXCKTSDDQX-RMKNXTFCSA-N
MW153.27 g/mol
LogP2.49
Rot. Bonds4

About (2E)-3,5,5-trimethylhepta-2,6-dien-1-amine

(2E)-3,5,5-trimethylhepta-2,6-dien-1-amine (PubChem CID 126733231) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2E)-3,5,5-trimethylhepta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E)-3,5,5-trimethylhepta-2,6-dien-1-amine
PubChem CID126733231
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2E)-3,5,5-trimethylhepta-2,6-dien-1-amine
SMILESC=CC(C)(C)C/C(C)=C/CN
InChIInChI=1S/C10H19N/c1-5-10(3,4)8-9(2)6-7-11/h5-6H,1,7-8,11H2,2-4H3/b9-6+
InChIKeyXUOSRXCKTSDDQX-RMKNXTFCSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3,3-dimethyl-4-(3-methylbut-2-enoxy)but-1-ene
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2-methylpropyl 3,3-dimethylpent-4-enoate
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3,3-dimethyl-1-phenylpent-4-en-1-one
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(E)-4-aminobut-2-en-2-ol
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CID 163641398

Frequently Asked Questions

What is the IUPAC name of (2E)-3,5,5-trimethylhepta-2,6-dien-1-amine?
The IUPAC name of (2E)-3,5,5-trimethylhepta-2,6-dien-1-amine (CID 126733231) is (2E)-3,5,5-trimethylhepta-2,6-dien-1-amine.
What is the SMILES notation for (2E)-3,5,5-trimethylhepta-2,6-dien-1-amine?
The canonical SMILES for (2E)-3,5,5-trimethylhepta-2,6-dien-1-amine is C=CC(C)(C)C/C(C)=C/CN.
What is the InChIKey of (2E)-3,5,5-trimethylhepta-2,6-dien-1-amine?
The InChIKey is XUOSRXCKTSDDQX-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H19N/c1-5-10(3,4)8-9(2)6-7-11/h5-6H,1,7-8,11H2,2-4H3/b9-6+.
What are the key properties of (2E)-3,5,5-trimethylhepta-2,6-dien-1-amine?
(2E)-3,5,5-trimethylhepta-2,6-dien-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,5,5-trimethylhepta-2,6-dien-1-amine is sourced from PubChem (CID 126733231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).