(3Z,5Z)-N-but-3-en-2-yl-3-methylocta-3,5,7-trien-4-amine;prop-1-ene

C16H27N — CID 144820651

IUPAC(3Z,5Z)-N-but-3-en-2-yl-3-methylocta-3,5,7-trien-4-amine;prop-1-ene
SMILESC=C/C=C\C(NC(C)C=C)=C(/C)CC.C=CC
InChIInChI=1S/C13H21N.C3H6/c1-6-9-10-13(11(4)7-2)14-12(5)8-3;1-3-2/h6,8-10,12,14H,1,3,7H2,2,4-5H3;3H,1H2,2H3/b10-9-,13-11-;
InChIKeyIKQKZBYXEULMNM-MNPNNYDMSA-N
MW233.40 g/mol
LogP4.77
Rot. Bonds6

About (3Z,5Z)-N-but-3-en-2-yl-3-methylocta-3,5,7-trien-4-amine;prop-1-ene

(3Z,5Z)-N-but-3-en-2-yl-3-methylocta-3,5,7-trien-4-amine;prop-1-ene (PubChem CID 144820651) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is (3Z,5Z)-N-but-3-en-2-yl-3-methylocta-3,5,7-trien-4-amine;prop-1-ene.

Molecular Properties

Compound Name(3Z,5Z)-N-but-3-en-2-yl-3-methylocta-3,5,7-trien-4-amine;prop-1-ene
PubChem CID144820651
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name(3Z,5Z)-N-but-3-en-2-yl-3-methylocta-3,5,7-trien-4-amine;prop-1-ene
SMILESC=C/C=C\C(NC(C)C=C)=C(/C)CC.C=CC
InChIInChI=1S/C13H21N.C3H6/c1-6-9-10-13(11(4)7-2)14-12(5)8-3;1-3-2/h6,8-10,12,14H,1,3,7H2,2,4-5H3;3H,1H2,2H3/b10-9-,13-11-;
InChIKeyIKQKZBYXEULMNM-MNPNNYDMSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-but-3-en-2-yl-3-methylocta-3,5,7-trien-4-amine;prop-1-ene?
The IUPAC name of (3Z,5Z)-N-but-3-en-2-yl-3-methylocta-3,5,7-trien-4-amine;prop-1-ene (CID 144820651) is (3Z,5Z)-N-but-3-en-2-yl-3-methylocta-3,5,7-trien-4-amine;prop-1-ene.
What is the SMILES notation for (3Z,5Z)-N-but-3-en-2-yl-3-methylocta-3,5,7-trien-4-amine;prop-1-ene?
The canonical SMILES for (3Z,5Z)-N-but-3-en-2-yl-3-methylocta-3,5,7-trien-4-amine;prop-1-ene is C=C/C=C\C(NC(C)C=C)=C(/C)CC.C=CC.
What is the InChIKey of (3Z,5Z)-N-but-3-en-2-yl-3-methylocta-3,5,7-trien-4-amine;prop-1-ene?
The InChIKey is IKQKZBYXEULMNM-MNPNNYDMSA-N. The full InChI is InChI=1S/C13H21N.C3H6/c1-6-9-10-13(11(4)7-2)14-12(5)8-3;1-3-2/h6,8-10,12,14H,1,3,7H2,2,4-5H3;3H,1H2,2H3/b10-9-,13-11-;.
What are the key properties of (3Z,5Z)-N-but-3-en-2-yl-3-methylocta-3,5,7-trien-4-amine;prop-1-ene?
(3Z,5Z)-N-but-3-en-2-yl-3-methylocta-3,5,7-trien-4-amine;prop-1-ene has a molecular weight of 233.40 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-but-3-en-2-yl-3-methylocta-3,5,7-trien-4-amine;prop-1-ene is sourced from PubChem (CID 144820651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).