(Z)-4-ethenyl-7-methylundec-3-en-2-amine

C14H27N — CID 121420088

IUPAC(Z)-4-ethenyl-7-methylundec-3-en-2-amine
SMILESC=C/C(=C\C(C)N)CCC(C)CCCC
InChIInChI=1S/C14H27N/c1-5-7-8-12(3)9-10-14(6-2)11-13(4)15/h6,11-13H,2,5,7-10,15H2,1,3-4H3/b14-11+
InChIKeyCSMQBBVEVBZTFU-SDNWHVSQSA-N
MW209.38 g/mol
LogP4.05
Rot. Bonds8

About (Z)-4-ethenyl-7-methylundec-3-en-2-amine

(Z)-4-ethenyl-7-methylundec-3-en-2-amine (PubChem CID 121420088) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (Z)-4-ethenyl-7-methylundec-3-en-2-amine.

Molecular Properties

Compound Name(Z)-4-ethenyl-7-methylundec-3-en-2-amine
PubChem CID121420088
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(Z)-4-ethenyl-7-methylundec-3-en-2-amine
SMILESC=C/C(=C\C(C)N)CCC(C)CCCC
InChIInChI=1S/C14H27N/c1-5-7-8-12(3)9-10-14(6-2)11-13(4)15/h6,11-13H,2,5,7-10,15H2,1,3-4H3/b14-11+
InChIKeyCSMQBBVEVBZTFU-SDNWHVSQSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethenyl-7-methylundec-3-en-2-amine?
The IUPAC name of (Z)-4-ethenyl-7-methylundec-3-en-2-amine (CID 121420088) is (Z)-4-ethenyl-7-methylundec-3-en-2-amine.
What is the SMILES notation for (Z)-4-ethenyl-7-methylundec-3-en-2-amine?
The canonical SMILES for (Z)-4-ethenyl-7-methylundec-3-en-2-amine is C=C/C(=C\C(C)N)CCC(C)CCCC.
What is the InChIKey of (Z)-4-ethenyl-7-methylundec-3-en-2-amine?
The InChIKey is CSMQBBVEVBZTFU-SDNWHVSQSA-N. The full InChI is InChI=1S/C14H27N/c1-5-7-8-12(3)9-10-14(6-2)11-13(4)15/h6,11-13H,2,5,7-10,15H2,1,3-4H3/b14-11+.
What are the key properties of (Z)-4-ethenyl-7-methylundec-3-en-2-amine?
(Z)-4-ethenyl-7-methylundec-3-en-2-amine has a molecular weight of 209.38 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethenyl-7-methylundec-3-en-2-amine is sourced from PubChem (CID 121420088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).