(2E,6Z)-1-cyclopropylnona-2,6-dien-1-amine

C12H21N — CID 154605430

IUPAC(2E,6Z)-1-cyclopropylnona-2,6-dien-1-amine
SMILESCC/C=C\CC/C=C/C(N)C1CC1
InChIInChI=1S/C12H21N/c1-2-3-4-5-6-7-8-12(13)11-9-10-11/h3-4,7-8,11-12H,2,5-6,9-10,13H2,1H3/b4-3-,8-7+
InChIKeyUYKGEVUGFMJZKQ-ODYTWBPASA-N
MW179.31 g/mol
LogP3.03
Rot. Bonds6

About (2E,6Z)-1-cyclopropylnona-2,6-dien-1-amine

(2E,6Z)-1-cyclopropylnona-2,6-dien-1-amine (PubChem CID 154605430) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (2E,6Z)-1-cyclopropylnona-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E,6Z)-1-cyclopropylnona-2,6-dien-1-amine
PubChem CID154605430
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(2E,6Z)-1-cyclopropylnona-2,6-dien-1-amine
SMILESCC/C=C\CC/C=C/C(N)C1CC1
InChIInChI=1S/C12H21N/c1-2-3-4-5-6-7-8-12(13)11-9-10-11/h3-4,7-8,11-12H,2,5-6,9-10,13H2,1H3/b4-3-,8-7+
InChIKeyUYKGEVUGFMJZKQ-ODYTWBPASA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.03
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'}

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Related Compounds

1-Cyclopropylprop-2-en-1-amine
CID 21806652
(Z,3S,6S,7S)-7-fluoro-6-methyloct-4-en-3-amine
CID 147180336
(6E)-1-fluoro-8,9-dimethyldeca-6,9-dien-5-amine
CID 166855528
6-Methylhept-3-en-2-amine
CID 10486865
2,6-Dimethylhept-2-en-4-amine
CID 20044128
2,6-Dimethylhept-2-en-4-amine;hydrochloride
CID 20044180
(4E,8E)-2,2,11-trimethyldodeca-4,8-diene-1,10-diamine
CID 20445753
(5E)-2-methylundeca-5,10-dien-3-amine
CID 20518068
4-Methylcyclopent-2-en-1-amine
CID 20593561
(E)-oct-3-en-2-amine
CID 21803360
2-Methylundeca-5,10-dien-3-amine
CID 53661637
2,2,11-Trimethyldodeca-4,8-diene-1,10-diamine
CID 53673302

Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-1-cyclopropylnona-2,6-dien-1-amine?
The IUPAC name of (2E,6Z)-1-cyclopropylnona-2,6-dien-1-amine (CID 154605430) is (2E,6Z)-1-cyclopropylnona-2,6-dien-1-amine.
What is the SMILES notation for (2E,6Z)-1-cyclopropylnona-2,6-dien-1-amine?
The canonical SMILES for (2E,6Z)-1-cyclopropylnona-2,6-dien-1-amine is CC/C=C\CC/C=C/C(N)C1CC1.
What is the InChIKey of (2E,6Z)-1-cyclopropylnona-2,6-dien-1-amine?
The InChIKey is UYKGEVUGFMJZKQ-ODYTWBPASA-N. The full InChI is InChI=1S/C12H21N/c1-2-3-4-5-6-7-8-12(13)11-9-10-11/h3-4,7-8,11-12H,2,5-6,9-10,13H2,1H3/b4-3-,8-7+.
What are the key properties of (2E,6Z)-1-cyclopropylnona-2,6-dien-1-amine?
(2E,6Z)-1-cyclopropylnona-2,6-dien-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-1-cyclopropylnona-2,6-dien-1-amine is sourced from PubChem (CID 154605430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).