(3Z)-N-butan-2-yl-3-methylpenta-1,3-dien-2-amine

C10H19N — CID 129085352

IUPAC(3Z)-N-butan-2-yl-3-methylpenta-1,3-dien-2-amine
SMILESC=C(NC(C)CC)/C(C)=C\C
InChIInChI=1S/C10H19N/c1-6-8(3)10(5)11-9(4)7-2/h6,9,11H,5,7H2,1-4H3/b8-6-
InChIKeyVOHNQDRLDBFLHJ-VURMDHGXSA-N
MW153.27 g/mol
LogP2.85
Rot. Bonds4

About (3Z)-N-butan-2-yl-3-methylpenta-1,3-dien-2-amine

(3Z)-N-butan-2-yl-3-methylpenta-1,3-dien-2-amine (PubChem CID 129085352) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (3Z)-N-butan-2-yl-3-methylpenta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-butan-2-yl-3-methylpenta-1,3-dien-2-amine
PubChem CID129085352
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(3Z)-N-butan-2-yl-3-methylpenta-1,3-dien-2-amine
SMILESC=C(NC(C)CC)/C(C)=C\C
InChIInChI=1S/C10H19N/c1-6-8(3)10(5)11-9(4)7-2/h6,9,11H,5,7H2,1-4H3/b8-6-
InChIKeyVOHNQDRLDBFLHJ-VURMDHGXSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.85
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)-N-butan-2-yl-3-methylpenta-1,3-dien-2-amine?
The IUPAC name of (3Z)-N-butan-2-yl-3-methylpenta-1,3-dien-2-amine (CID 129085352) is (3Z)-N-butan-2-yl-3-methylpenta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N-butan-2-yl-3-methylpenta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N-butan-2-yl-3-methylpenta-1,3-dien-2-amine is C=C(NC(C)CC)/C(C)=C\C.
What is the InChIKey of (3Z)-N-butan-2-yl-3-methylpenta-1,3-dien-2-amine?
The InChIKey is VOHNQDRLDBFLHJ-VURMDHGXSA-N. The full InChI is InChI=1S/C10H19N/c1-6-8(3)10(5)11-9(4)7-2/h6,9,11H,5,7H2,1-4H3/b8-6-.
What are the key properties of (3Z)-N-butan-2-yl-3-methylpenta-1,3-dien-2-amine?
(3Z)-N-butan-2-yl-3-methylpenta-1,3-dien-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-butan-2-yl-3-methylpenta-1,3-dien-2-amine is sourced from PubChem (CID 129085352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).