(E)-N,N-di(propan-2-yl)pent-3-en-1-yn-1-amine

C11H19N — CID 134922800

IUPAC(E)-N,N-di(propan-2-yl)pent-3-en-1-yn-1-amine
SMILESC/C=C/C#CN(C(C)C)C(C)C
InChIInChI=1S/C11H19N/c1-6-7-8-9-12(10(2)3)11(4)5/h6-7,10-11H,1-5H3/b7-6+
InChIKeyGNKDKXPDMDWZNV-VOTSOKGWSA-N
MW165.28 g/mol
LogP2.64
Rot. Bonds2

About (E)-N,N-di(propan-2-yl)pent-3-en-1-yn-1-amine

(E)-N,N-di(propan-2-yl)pent-3-en-1-yn-1-amine (PubChem CID 134922800) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (E)-N,N-di(propan-2-yl)pent-3-en-1-yn-1-amine.

Molecular Properties

Compound Name(E)-N,N-di(propan-2-yl)pent-3-en-1-yn-1-amine
PubChem CID134922800
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(E)-N,N-di(propan-2-yl)pent-3-en-1-yn-1-amine
SMILESC/C=C/C#CN(C(C)C)C(C)C
InChIInChI=1S/C11H19N/c1-6-7-8-9-12(10(2)3)11(4)5/h6-7,10-11H,1-5H3/b7-6+
InChIKeyGNKDKXPDMDWZNV-VOTSOKGWSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-di(propan-2-yl)pent-3-en-1-yn-1-amine?
The IUPAC name of (E)-N,N-di(propan-2-yl)pent-3-en-1-yn-1-amine (CID 134922800) is (E)-N,N-di(propan-2-yl)pent-3-en-1-yn-1-amine.
What is the SMILES notation for (E)-N,N-di(propan-2-yl)pent-3-en-1-yn-1-amine?
The canonical SMILES for (E)-N,N-di(propan-2-yl)pent-3-en-1-yn-1-amine is C/C=C/C#CN(C(C)C)C(C)C.
What is the InChIKey of (E)-N,N-di(propan-2-yl)pent-3-en-1-yn-1-amine?
The InChIKey is GNKDKXPDMDWZNV-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H19N/c1-6-7-8-9-12(10(2)3)11(4)5/h6-7,10-11H,1-5H3/b7-6+.
What are the key properties of (E)-N,N-di(propan-2-yl)pent-3-en-1-yn-1-amine?
(E)-N,N-di(propan-2-yl)pent-3-en-1-yn-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-di(propan-2-yl)pent-3-en-1-yn-1-amine is sourced from PubChem (CID 134922800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).