N-but-2-enyl-N,2-dimethylbut-3-yn-1-amine

C10H17N — CID 71353434

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

About N-but-2-enyl-N,2-dimethylbut-3-yn-1-amine

N-but-2-enyl-N,2-dimethylbut-3-yn-1-amine (PubChem CID 71353434) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-but-2-enyl-N,2-dimethylbut-3-yn-1-amine.

Molecular Properties

Compound NameN-but-2-enyl-N,2-dimethylbut-3-yn-1-amine
PubChem CID71353434
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-but-2-enyl-N,2-dimethylbut-3-yn-1-amine
SMILESC#CC(C)CN(C)CC=CC
InChIInChI=1S/C10H17N/c1-5-7-8-11(4)9-10(3)6-2/h2,5,7,10H,8-9H2,1,3-4H3
InChIKeyHSEJUSYCSBLLMA-UHFFFAOYSA-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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Related Compounds

N-[(E)-but-2-enyl]-N,2-dimethylbut-3-yn-1-amine
CID 11030010
(Z)-N,N-dipropylpent-3-en-1-yn-1-amine
CID 23268221
N-[(Z)-but-2-enyl]-N,2-dimethylbut-3-yn-1-amine
CID 21592938
trimethyl-[(Z)-3-methylpent-2-en-4-ynyl]azanium
CID 21678748
N,N-bis(prop-2-enyl)pent-1-yn-3-amine
CID 45088777
2-methyl-N-(2-methylpropyl)-N-prop-2-enylpropan-1-amine
CID 11564537
2-methyl-N,N-bis(prop-2-enyl)propan-1-amine
CID 14123309
Pent-3-ynyl-tris(prop-2-enyl)azanium
CID 21932152
N,2-dimethyl-N-prop-2-enylpropan-1-amine
CID 57826298
1-(3-Methylbut-1-ynyl)-2,5-dihydropyrrole
CID 67424180
Methyl-bis(prop-2-enyl)-prop-2-ynylazanium
CID 86018311
(E)-N-ethyl-N,2-dimethylpent-2-en-4-yn-1-amine
CID 89371967

Frequently Asked Questions

What is the IUPAC name of N-but-2-enyl-N,2-dimethylbut-3-yn-1-amine?
The IUPAC name of N-but-2-enyl-N,2-dimethylbut-3-yn-1-amine (CID 71353434) is N-but-2-enyl-N,2-dimethylbut-3-yn-1-amine.
What is the SMILES notation for N-but-2-enyl-N,2-dimethylbut-3-yn-1-amine?
The canonical SMILES for N-but-2-enyl-N,2-dimethylbut-3-yn-1-amine is C#CC(C)CN(C)CC=CC.
What is the InChIKey of N-but-2-enyl-N,2-dimethylbut-3-yn-1-amine?
The InChIKey is HSEJUSYCSBLLMA-UHFFFAOYSA-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.
What are the key properties of N-but-2-enyl-N,2-dimethylbut-3-yn-1-amine?
N-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-but-2-enyl-N,2-dimethylbut-3-yn-1-amine is sourced from PubChem (CID 71353434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).