(1Z)-N-butan-2-yl-N-pentan-2-yl-3-propan-2-ylpenta-1,4-dien-1-amine

C17H33N — CID 126641047

IUPAC(1Z)-N-butan-2-yl-N-pentan-2-yl-3-propan-2-ylpenta-1,4-dien-1-amine
SMILESC=CC(/C=C\N(C(C)CC)C(C)CCC)C(C)C
InChIInChI=1S/C17H33N/c1-8-11-16(7)18(15(6)9-2)13-12-17(10-3)14(4)5/h10,12-17H,3,8-9,11H2,1-2,4-7H3/b13-12-
InChIKeyFVKPKCRAYPTGOQ-SEYXRHQNSA-N
MW251.46 g/mol
LogP5.25
Rot. Bonds9

About (1Z)-N-butan-2-yl-N-pentan-2-yl-3-propan-2-ylpenta-1,4-dien-1-amine

(1Z)-N-butan-2-yl-N-pentan-2-yl-3-propan-2-ylpenta-1,4-dien-1-amine (PubChem CID 126641047) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is (1Z)-N-butan-2-yl-N-pentan-2-yl-3-propan-2-ylpenta-1,4-dien-1-amine.

Molecular Properties

Compound Name(1Z)-N-butan-2-yl-N-pentan-2-yl-3-propan-2-ylpenta-1,4-dien-1-amine
PubChem CID126641047
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name(1Z)-N-butan-2-yl-N-pentan-2-yl-3-propan-2-ylpenta-1,4-dien-1-amine
SMILESC=CC(/C=C\N(C(C)CC)C(C)CCC)C(C)C
InChIInChI=1S/C17H33N/c1-8-11-16(7)18(15(6)9-2)13-12-17(10-3)14(4)5/h10,12-17H,3,8-9,11H2,1-2,4-7H3/b13-12-
InChIKeyFVKPKCRAYPTGOQ-SEYXRHQNSA-N
XLogP5.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-N-butan-2-yl-N-pentan-2-yl-3-propan-2-ylpenta-1,4-dien-1-amine?
The IUPAC name of (1Z)-N-butan-2-yl-N-pentan-2-yl-3-propan-2-ylpenta-1,4-dien-1-amine (CID 126641047) is (1Z)-N-butan-2-yl-N-pentan-2-yl-3-propan-2-ylpenta-1,4-dien-1-amine.
What is the SMILES notation for (1Z)-N-butan-2-yl-N-pentan-2-yl-3-propan-2-ylpenta-1,4-dien-1-amine?
The canonical SMILES for (1Z)-N-butan-2-yl-N-pentan-2-yl-3-propan-2-ylpenta-1,4-dien-1-amine is C=CC(/C=C\N(C(C)CC)C(C)CCC)C(C)C.
What is the InChIKey of (1Z)-N-butan-2-yl-N-pentan-2-yl-3-propan-2-ylpenta-1,4-dien-1-amine?
The InChIKey is FVKPKCRAYPTGOQ-SEYXRHQNSA-N. The full InChI is InChI=1S/C17H33N/c1-8-11-16(7)18(15(6)9-2)13-12-17(10-3)14(4)5/h10,12-17H,3,8-9,11H2,1-2,4-7H3/b13-12-.
What are the key properties of (1Z)-N-butan-2-yl-N-pentan-2-yl-3-propan-2-ylpenta-1,4-dien-1-amine?
(1Z)-N-butan-2-yl-N-pentan-2-yl-3-propan-2-ylpenta-1,4-dien-1-amine has a molecular weight of 251.46 g/mol, XLogP of 5.25, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-butan-2-yl-N-pentan-2-yl-3-propan-2-ylpenta-1,4-dien-1-amine is sourced from PubChem (CID 126641047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).