3-methyl-N-propylhepta-3,5-dien-2-amine

C11H21N — CID 123356687

IUPAC3-methyl-N-propylhepta-3,5-dien-2-amine
SMILESCC=CC=C(C)C(C)NCCC
InChIInChI=1S/C11H21N/c1-5-7-8-10(3)11(4)12-9-6-2/h5,7-8,11-12H,6,9H2,1-4H3
InChIKeyBAUJXJNTEBYLKV-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.90
Rot. Bonds5

About 3-methyl-N-propylhepta-3,5-dien-2-amine

3-methyl-N-propylhepta-3,5-dien-2-amine (PubChem CID 123356687) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-methyl-N-propylhepta-3,5-dien-2-amine.

Molecular Properties

Compound Name3-methyl-N-propylhepta-3,5-dien-2-amine
PubChem CID123356687
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-methyl-N-propylhepta-3,5-dien-2-amine
SMILESCC=CC=C(C)C(C)NCCC
InChIInChI=1S/C11H21N/c1-5-7-8-10(3)11(4)12-9-6-2/h5,7-8,11-12H,6,9H2,1-4H3
InChIKeyBAUJXJNTEBYLKV-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.90
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

5,6-dimethyldeca-2,4-diene
CID 91470784
3-methyl-N-propylbut-3-en-2-amine
CID 79177488
(2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene
CID 143911112
6-ethyl-5,8-dimethylnona-2,4-diene
CID 123215869
(E)-3-methyl-N-propyl-4-(2,4,5-trifluorophenyl)but-3-en-2-amine
CID 114058177
(E)-4-(2-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093674
3-methyl-4-(oxolan-3-yl)-N-propylbut-3-en-2-amine
CID 103093573
2-(propylamino)propanamide
CID 43086178
(2S)-2-(propylamino)propanamide
CID 28835957
2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol
CID 143177152
(E)-3-methyl-4-(4-propoxyphenyl)-N-propylbut-3-en-2-amine
CID 103093563
(E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093795

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propylhepta-3,5-dien-2-amine?
The IUPAC name of 3-methyl-N-propylhepta-3,5-dien-2-amine (CID 123356687) is 3-methyl-N-propylhepta-3,5-dien-2-amine.
What is the SMILES notation for 3-methyl-N-propylhepta-3,5-dien-2-amine?
The canonical SMILES for 3-methyl-N-propylhepta-3,5-dien-2-amine is CC=CC=C(C)C(C)NCCC.
What is the InChIKey of 3-methyl-N-propylhepta-3,5-dien-2-amine?
The InChIKey is BAUJXJNTEBYLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-7-8-10(3)11(4)12-9-6-2/h5,7-8,11-12H,6,9H2,1-4H3.
What are the key properties of 3-methyl-N-propylhepta-3,5-dien-2-amine?
3-methyl-N-propylhepta-3,5-dien-2-amine has a molecular weight of 167.30 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propylhepta-3,5-dien-2-amine is sourced from PubChem (CID 123356687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).