2,7-dimethylocta-2,7-dien-1-amine

C10H19N — CID 550648

IUPAC2,7-dimethylocta-2,7-dien-1-amine
SMILESC=C(C)CCCC=C(C)CN
InChIInChI=1S/C10H19N/c1-9(2)6-4-5-7-10(3)8-11/h7H,1,4-6,8,11H2,2-3H3
InChIKeyKFSRXUBQTKIOGJ-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.64
Rot. Bonds5

About 2,7-dimethylocta-2,7-dien-1-amine

2,7-dimethylocta-2,7-dien-1-amine (PubChem CID 550648) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2,7-dimethylocta-2,7-dien-1-amine.

Molecular Properties

Compound Name2,7-dimethylocta-2,7-dien-1-amine
PubChem CID550648
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2,7-dimethylocta-2,7-dien-1-amine
SMILESC=C(C)CCCC=C(C)CN
InChIInChI=1S/C10H19N/c1-9(2)6-4-5-7-10(3)8-11/h7H,1,4-6,8,11H2,2-3H3
InChIKeyKFSRXUBQTKIOGJ-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,7-dimethylocta-2,7-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6E)-2,7-dimethyldeca-1,6-diene
CID 173073155
2-[[(2E)-2,7-dimethylocta-2,7-dienyl]amino]ethanol
CID 132936784
2,8-dimethyldodeca-1,8-diene
CID 91581739
[(2E)-2,7-dimethylocta-2,7-dienoxy]methylbenzene
CID 10879359
(4E)-5,9-dimethyldeca-4,9-dienal
CID 6437671
2,6-dimethylocta-1,5-diene
CID 54025904
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
2-methylundeca-1,6-diene
CID 173154459
2,14-dimethylpentadeca-1,14-diene
CID 123962057
2,7-dimethylocta-1,7-diene;hydron
CID 174323451
(6E)-2,6-dimethyldeca-2,6-diene;2-methylhex-1-ene;2-methylhex-2-ene
CID 162079708
3,7,11-trimethyldodeca-1,6,11-trien-3-ol
CID 54462600

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylocta-2,7-dien-1-amine?
The IUPAC name of 2,7-dimethylocta-2,7-dien-1-amine (CID 550648) is 2,7-dimethylocta-2,7-dien-1-amine.
What is the SMILES notation for 2,7-dimethylocta-2,7-dien-1-amine?
The canonical SMILES for 2,7-dimethylocta-2,7-dien-1-amine is C=C(C)CCCC=C(C)CN.
What is the InChIKey of 2,7-dimethylocta-2,7-dien-1-amine?
The InChIKey is KFSRXUBQTKIOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-9(2)6-4-5-7-10(3)8-11/h7H,1,4-6,8,11H2,2-3H3.
What are the key properties of 2,7-dimethylocta-2,7-dien-1-amine?
2,7-dimethylocta-2,7-dien-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylocta-2,7-dien-1-amine is sourced from PubChem (CID 550648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).