4-methyl-4-prop-2-enylhepta-1,6-dien-2-amine

C11H19N — CID 174238580

IUPAC4-methyl-4-prop-2-enylhepta-1,6-dien-2-amine
SMILESC=CCC(C)(CC=C)CC(=C)N
InChIInChI=1S/C11H19N/c1-5-7-11(4,8-6-2)9-10(3)12/h5-6H,1-3,7-9,12H2,4H3
InChIKeySPLLWVUGYFMXNE-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.01
Rot. Bonds6

About 4-methyl-4-prop-2-enylhepta-1,6-dien-2-amine

4-methyl-4-prop-2-enylhepta-1,6-dien-2-amine (PubChem CID 174238580) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-methyl-4-prop-2-enylhepta-1,6-dien-2-amine.

Molecular Properties

Compound Name4-methyl-4-prop-2-enylhepta-1,6-dien-2-amine
PubChem CID174238580
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-methyl-4-prop-2-enylhepta-1,6-dien-2-amine
SMILESC=CCC(C)(CC=C)CC(=C)N
InChIInChI=1S/C11H19N/c1-5-7-11(4,8-6-2)9-10(3)12/h5-6H,1-3,7-9,12H2,4H3
InChIKeySPLLWVUGYFMXNE-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.01
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

2-methyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride
CID 173037524
2,4,4-trimethylhepta-1,6-diene
CID 15205594
4-methyl-4-propylhept-1-ene
CID 139926982
ethyl 2-amino-2-methylpent-4-enoate
CID 10103394
N,2-dimethyl-2-prop-2-enylpent-4-en-1-amine
CID 153496767
2-amino-2-methylpent-4-en-1-ol
CID 55291318
(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol
CID 92533073
4,4,7-trimethyl-6-methylideneoct-1-ene
CID 59085404
ethyl (2S)-2-acetyl-2-methylpent-4-enoate
CID 10943138
ethyl 2-acetyl-2-methylpent-4-enoate
CID 10910217
1-amino-2-methylpent-4-en-2-ol;hydrochloride
CID 134542347
4,7-dimethyldeca-1,9-diene-4,7-diamine
CID 10774290

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-prop-2-enylhepta-1,6-dien-2-amine?
The IUPAC name of 4-methyl-4-prop-2-enylhepta-1,6-dien-2-amine (CID 174238580) is 4-methyl-4-prop-2-enylhepta-1,6-dien-2-amine.
What is the SMILES notation for 4-methyl-4-prop-2-enylhepta-1,6-dien-2-amine?
The canonical SMILES for 4-methyl-4-prop-2-enylhepta-1,6-dien-2-amine is C=CCC(C)(CC=C)CC(=C)N.
What is the InChIKey of 4-methyl-4-prop-2-enylhepta-1,6-dien-2-amine?
The InChIKey is SPLLWVUGYFMXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-5-7-11(4,8-6-2)9-10(3)12/h5-6H,1-3,7-9,12H2,4H3.
What are the key properties of 4-methyl-4-prop-2-enylhepta-1,6-dien-2-amine?
4-methyl-4-prop-2-enylhepta-1,6-dien-2-amine has a molecular weight of 165.28 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-prop-2-enylhepta-1,6-dien-2-amine is sourced from PubChem (CID 174238580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).