(Z)-9-methylideneundec-2-en-1-amine

C12H23N — CID 143683298

IUPAC(Z)-9-methylideneundec-2-en-1-amine
SMILESC=C(CC)CCCCC/C=C\CN
InChIInChI=1S/C12H23N/c1-3-12(2)10-8-6-4-5-7-9-11-13/h7,9H,2-6,8,10-11,13H2,1H3/b9-7-
InChIKeyHYFMYZQVFWDAND-CLFYSBASSA-N
MW181.32 g/mol
LogP3.42
Rot. Bonds8

About (Z)-9-methylideneundec-2-en-1-amine

(Z)-9-methylideneundec-2-en-1-amine (PubChem CID 143683298) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (Z)-9-methylideneundec-2-en-1-amine.

Molecular Properties

Compound Name(Z)-9-methylideneundec-2-en-1-amine
PubChem CID143683298
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(Z)-9-methylideneundec-2-en-1-amine
SMILESC=C(CC)CCCCC/C=C\CN
InChIInChI=1S/C12H23N/c1-3-12(2)10-8-6-4-5-7-9-11-13/h7,9H,2-6,8,10-11,13H2,1H3/b9-7-
InChIKeyHYFMYZQVFWDAND-CLFYSBASSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.42
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

(10E)-trideca-1,10-dien-2-ol
CID 87688882
undec-2-en-1-amine;hydrochloride
CID 173326659
3-methylidenedecane
CID 21453024
3,8-dimethylidenetetradecane;bis(oct-1-ene)
CID 173443691
butanedioic acid;dec-2-en-1-amine
CID 175176205
3,8-dimethylidenetetradecane
CID 173410299
(E)-hept-2-en-1-amine
CID 10779517
octadec-15-enamide
CID 54276805
(Z)-docos-13-enamide;prop-2-en-1-amine;hydrobromide
CID 175531495
18-methylideneicosanoic acid
CID 154487805
(5E,7Z)-13-methylideneheptadeca-5,7-diene
CID 57162564
(Z)-3,6-dimethylidenepentadec-11-en-2-amine
CID 138480386

Frequently Asked Questions

What is the IUPAC name of (Z)-9-methylideneundec-2-en-1-amine?
The IUPAC name of (Z)-9-methylideneundec-2-en-1-amine (CID 143683298) is (Z)-9-methylideneundec-2-en-1-amine.
What is the SMILES notation for (Z)-9-methylideneundec-2-en-1-amine?
The canonical SMILES for (Z)-9-methylideneundec-2-en-1-amine is C=C(CC)CCCCC/C=C\CN.
What is the InChIKey of (Z)-9-methylideneundec-2-en-1-amine?
The InChIKey is HYFMYZQVFWDAND-CLFYSBASSA-N. The full InChI is InChI=1S/C12H23N/c1-3-12(2)10-8-6-4-5-7-9-11-13/h7,9H,2-6,8,10-11,13H2,1H3/b9-7-.
What are the key properties of (Z)-9-methylideneundec-2-en-1-amine?
(Z)-9-methylideneundec-2-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9-methylideneundec-2-en-1-amine is sourced from PubChem (CID 143683298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).