(3E)-N,7-dimethylnona-3,8-dien-2-amine

C11H21N — CID 163884829

IUPAC(3E)-N,7-dimethylnona-3,8-dien-2-amine
SMILESC=CC(C)CC/C=C/C(C)NC
InChIInChI=1S/C11H21N/c1-5-10(2)8-6-7-9-11(3)12-4/h5,7,9-12H,1,6,8H2,2-4H3/b9-7+
InChIKeyPWLCUJOFFYDXGD-VQHVLOKHSA-N
MW167.30 g/mol
LogP2.75
Rot. Bonds6

About (3E)-N,7-dimethylnona-3,8-dien-2-amine

(3E)-N,7-dimethylnona-3,8-dien-2-amine (PubChem CID 163884829) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (3E)-N,7-dimethylnona-3,8-dien-2-amine.

Molecular Properties

Compound Name(3E)-N,7-dimethylnona-3,8-dien-2-amine
PubChem CID163884829
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(3E)-N,7-dimethylnona-3,8-dien-2-amine
SMILESC=CC(C)CC/C=C/C(C)NC
InChIInChI=1S/C11H21N/c1-5-10(2)8-6-7-9-11(3)12-4/h5,7,9-12H,1,6,8H2,2-4H3/b9-7+
InChIKeyPWLCUJOFFYDXGD-VQHVLOKHSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.75
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

(6E)-3-methylocta-1,6-diene
CID 14140905
5-(methylamino)hex-3-en-1-ol
CID 173195791
3,9-dimethyldeca-1,6-diene
CID 173018442
(3S)-3-methylhepta-1,6-diene
CID 145257056
N,5-dimethylhept-6-en-2-amine
CID 138518123
3,6-dimethylhept-1-ene
CID 18443713
(E)-N,6-dimethylhept-3-en-2-amine
CID 167073805
3,9-dimethylundeca-1,6-diene
CID 173245384
(E,7R)-7-(methylamino)oct-5-en-2-one
CID 164724479
3,6-dimethylhept-1-ene;ethane
CID 142076338
N-methylbut-3-en-2-amine;hydrochloride
CID 75525004
3,8-dimethylnon-1-ene
CID 54356105

Frequently Asked Questions

What is the IUPAC name of (3E)-N,7-dimethylnona-3,8-dien-2-amine?
The IUPAC name of (3E)-N,7-dimethylnona-3,8-dien-2-amine (CID 163884829) is (3E)-N,7-dimethylnona-3,8-dien-2-amine.
What is the SMILES notation for (3E)-N,7-dimethylnona-3,8-dien-2-amine?
The canonical SMILES for (3E)-N,7-dimethylnona-3,8-dien-2-amine is C=CC(C)CC/C=C/C(C)NC.
What is the InChIKey of (3E)-N,7-dimethylnona-3,8-dien-2-amine?
The InChIKey is PWLCUJOFFYDXGD-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H21N/c1-5-10(2)8-6-7-9-11(3)12-4/h5,7,9-12H,1,6,8H2,2-4H3/b9-7+.
What are the key properties of (3E)-N,7-dimethylnona-3,8-dien-2-amine?
(3E)-N,7-dimethylnona-3,8-dien-2-amine has a molecular weight of 167.30 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N,7-dimethylnona-3,8-dien-2-amine is sourced from PubChem (CID 163884829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).