(3Z,5Z,7Z)-2,4-dimethyl-5-propylnona-1,3,5,7-tetraen-3-amine

C14H23N — CID 88542970

IUPAC(3Z,5Z,7Z)-2,4-dimethyl-5-propylnona-1,3,5,7-tetraen-3-amine
SMILESC=C(C)/C(N)=C(C)/C(=C\C=C/C)CCC
InChIInChI=1S/C14H23N/c1-6-8-10-13(9-7-2)12(5)14(15)11(3)4/h6,8,10H,3,7,9,15H2,1-2,4-5H3/b8-6-,13-10-,14-12-
InChIKeySXOBFGLQRYQTPA-MXEREDMMSA-N
MW205.34 g/mol
LogP4.10
Rot. Bonds5

About (3Z,5Z,7Z)-2,4-dimethyl-5-propylnona-1,3,5,7-tetraen-3-amine

(3Z,5Z,7Z)-2,4-dimethyl-5-propylnona-1,3,5,7-tetraen-3-amine (PubChem CID 88542970) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (3Z,5Z,7Z)-2,4-dimethyl-5-propylnona-1,3,5,7-tetraen-3-amine.

Molecular Properties

Compound Name(3Z,5Z,7Z)-2,4-dimethyl-5-propylnona-1,3,5,7-tetraen-3-amine
PubChem CID88542970
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(3Z,5Z,7Z)-2,4-dimethyl-5-propylnona-1,3,5,7-tetraen-3-amine
SMILESC=C(C)/C(N)=C(C)/C(=C\C=C/C)CCC
InChIInChI=1S/C14H23N/c1-6-8-10-13(9-7-2)12(5)14(15)11(3)4/h6,8,10H,3,7,9,15H2,1-2,4-5H3/b8-6-,13-10-,14-12-
InChIKeySXOBFGLQRYQTPA-MXEREDMMSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.10
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 (3Z,5Z,7Z)-2,4-dimethyl-5-propylnona-1,3,5,7-tetraen-3-amine?
The IUPAC name of (3Z,5Z,7Z)-2,4-dimethyl-5-propylnona-1,3,5,7-tetraen-3-amine (CID 88542970) is (3Z,5Z,7Z)-2,4-dimethyl-5-propylnona-1,3,5,7-tetraen-3-amine.
What is the SMILES notation for (3Z,5Z,7Z)-2,4-dimethyl-5-propylnona-1,3,5,7-tetraen-3-amine?
The canonical SMILES for (3Z,5Z,7Z)-2,4-dimethyl-5-propylnona-1,3,5,7-tetraen-3-amine is C=C(C)/C(N)=C(C)/C(=C\C=C/C)CCC.
What is the InChIKey of (3Z,5Z,7Z)-2,4-dimethyl-5-propylnona-1,3,5,7-tetraen-3-amine?
The InChIKey is SXOBFGLQRYQTPA-MXEREDMMSA-N. The full InChI is InChI=1S/C14H23N/c1-6-8-10-13(9-7-2)12(5)14(15)11(3)4/h6,8,10H,3,7,9,15H2,1-2,4-5H3/b8-6-,13-10-,14-12-.
What are the key properties of (3Z,5Z,7Z)-2,4-dimethyl-5-propylnona-1,3,5,7-tetraen-3-amine?
(3Z,5Z,7Z)-2,4-dimethyl-5-propylnona-1,3,5,7-tetraen-3-amine has a molecular weight of 205.34 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z)-2,4-dimethyl-5-propylnona-1,3,5,7-tetraen-3-amine is sourced from PubChem (CID 88542970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).