4-methylhepta-3,5-dien-2-amine

C8H15N — CID 123570929

IUPAC4-methylhepta-3,5-dien-2-amine
SMILESCC=CC(C)=CC(C)N
InChIInChI=1S/C8H15N/c1-4-5-7(2)6-8(3)9/h4-6,8H,9H2,1-3H3
InChIKeyNOLRCULNCHNNQP-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.86
Rot. Bonds2

About 4-methylhepta-3,5-dien-2-amine

4-methylhepta-3,5-dien-2-amine (PubChem CID 123570929) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 4-methylhepta-3,5-dien-2-amine.

Molecular Properties

Compound Name4-methylhepta-3,5-dien-2-amine
PubChem CID123570929
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name4-methylhepta-3,5-dien-2-amine
SMILESCC=CC(C)=CC(C)N
InChIInChI=1S/C8H15N/c1-4-5-7(2)6-8(3)9/h4-6,8H,9H2,1-3H3
InChIKeyNOLRCULNCHNNQP-UHFFFAOYSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.86
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

(3E,5Z)-4-chlorohepta-3,5-dien-2-amine
CID 134365778
2,5-dimethylocta-1,4,6-trien-3-ol
CID 54571338
3,7,9-trimethyldodeca-8,10-dien-6-ol
CID 73121037
(Z)-4-aminopent-2-en-2-ol;ethane
CID 143707909
5-methylocta-4,6-diene-1,3-diol
CID 150016637
(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
CID 142057667
(E)-1,3-diaminobut-1-en-1-ol
CID 118411260
(4Z,6E)-3,5-dimethylocta-2,4,6-triene
CID 144536479
(1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine
CID 88966128
1-aminoethanol;(E)-but-2-enoic acid
CID 87299473
5,7-dimethylocta-3,5-dien-2-one
CID 130754932
ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 142253668

Frequently Asked Questions

What is the IUPAC name of 4-methylhepta-3,5-dien-2-amine?
The IUPAC name of 4-methylhepta-3,5-dien-2-amine (CID 123570929) is 4-methylhepta-3,5-dien-2-amine.
What is the SMILES notation for 4-methylhepta-3,5-dien-2-amine?
The canonical SMILES for 4-methylhepta-3,5-dien-2-amine is CC=CC(C)=CC(C)N.
What is the InChIKey of 4-methylhepta-3,5-dien-2-amine?
The InChIKey is NOLRCULNCHNNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-4-5-7(2)6-8(3)9/h4-6,8H,9H2,1-3H3.
What are the key properties of 4-methylhepta-3,5-dien-2-amine?
4-methylhepta-3,5-dien-2-amine has a molecular weight of 125.21 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylhepta-3,5-dien-2-amine is sourced from PubChem (CID 123570929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).