N-[(E)-but-2-enyl]-N,2-dimethylbut-3-yn-1-amine

C10H17N — CID 11030010

IUPACN-[(E)-but-2-enyl]-N,2-dimethylbut-3-yn-1-amine
SMILESC#CC(C)CN(C)C/C=C/C
InChIInChI=1S/C10H17N/c1-5-7-8-11(4)9-10(3)6-2/h2,5,7,10H,8-9H2,1,3-4H3/b7-5+
InChIKeyHSEJUSYCSBLLMA-FNORWQNLSA-N
MW151.25 g/mol
LogP1.76
Rot. Bonds4

About N-[(E)-but-2-enyl]-N,2-dimethylbut-3-yn-1-amine

N-[(E)-but-2-enyl]-N,2-dimethylbut-3-yn-1-amine (PubChem CID 11030010) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-N,2-dimethylbut-3-yn-1-amine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-N,2-dimethylbut-3-yn-1-amine
PubChem CID11030010
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-[(E)-but-2-enyl]-N,2-dimethylbut-3-yn-1-amine
SMILESC#CC(C)CN(C)C/C=C/C
InChIInChI=1S/C10H17N/c1-5-7-8-11(4)9-10(3)6-2/h2,5,7,10H,8-9H2,1,3-4H3/b7-5+
InChIKeyHSEJUSYCSBLLMA-FNORWQNLSA-N
XLogP1.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-N,2-dimethylbut-3-yn-1-amine?
The IUPAC name of N-[(E)-but-2-enyl]-N,2-dimethylbut-3-yn-1-amine (CID 11030010) is N-[(E)-but-2-enyl]-N,2-dimethylbut-3-yn-1-amine.
What is the SMILES notation for N-[(E)-but-2-enyl]-N,2-dimethylbut-3-yn-1-amine?
The canonical SMILES for N-[(E)-but-2-enyl]-N,2-dimethylbut-3-yn-1-amine is C#CC(C)CN(C)C/C=C/C.
What is the InChIKey of N-[(E)-but-2-enyl]-N,2-dimethylbut-3-yn-1-amine?
The InChIKey is HSEJUSYCSBLLMA-FNORWQNLSA-N. The full InChI is InChI=1S/C10H17N/c1-5-7-8-11(4)9-10(3)6-2/h2,5,7,10H,8-9H2,1,3-4H3/b7-5+.
What are the key properties of N-[(E)-but-2-enyl]-N,2-dimethylbut-3-yn-1-amine?
N-[(E)-but-2-enyl]-N,2-dimethylbut-3-yn-1-amine has a molecular weight of 151.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-N,2-dimethylbut-3-yn-1-amine is sourced from PubChem (CID 11030010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).