N-prop-1-en-2-ylbut-2-yn-1-amine

C7H11N — CID 118697903

IUPACN-prop-1-en-2-ylbut-2-yn-1-amine
SMILESC=C(C)NCC#CC
InChIInChI=1S/C7H11N/c1-4-5-6-8-7(2)3/h8H,2,6H2,1,3H3
InChIKeyOSIVAMFKSAHDFD-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.13
Rot. Bonds2

About N-prop-1-en-2-ylbut-2-yn-1-amine

N-prop-1-en-2-ylbut-2-yn-1-amine (PubChem CID 118697903) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-prop-1-en-2-ylbut-2-yn-1-amine.

Molecular Properties

Compound NameN-prop-1-en-2-ylbut-2-yn-1-amine
PubChem CID118697903
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-prop-1-en-2-ylbut-2-yn-1-amine
SMILESC=C(C)NCC#CC
InChIInChI=1S/C7H11N/c1-4-5-6-8-7(2)3/h8H,2,6H2,1,3H3
InChIKeyOSIVAMFKSAHDFD-UHFFFAOYSA-N
XLogP1.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-but-2-ynyl-3-propan-2-ylurea
CID 115865637
N-but-2-ynyl-2,2,2-trifluoroacetamide
CID 115867465
(E)-N-prop-1-en-2-ylbut-2-en-1-amine
CID 148701654
2-bromo-N-but-2-ynyl-2-methylpropanamide
CID 114329133
2-(prop-1-en-2-ylamino)ethanol
CID 15413083
2-amino-N-but-2-ynylbutanamide
CID 115976942
N-but-2-ynyl-2,6-dichloropyridine-4-carboxamide
CID 115866916
N-[2-(prop-1-en-2-ylamino)ethyl]acetamide
CID 21030566
N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine
CID 58965145
N-but-2-ynyl-4-methylpiperazine-1-carboxamide
CID 143657710
N-but-2-ynyl-2-cyclopentylacetamide
CID 130621524
(2R)-2-amino-N-but-2-ynyl-3-phenylpropanamide
CID 104861124

Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-ylbut-2-yn-1-amine?
The IUPAC name of N-prop-1-en-2-ylbut-2-yn-1-amine (CID 118697903) is N-prop-1-en-2-ylbut-2-yn-1-amine.
What is the SMILES notation for N-prop-1-en-2-ylbut-2-yn-1-amine?
The canonical SMILES for N-prop-1-en-2-ylbut-2-yn-1-amine is C=C(C)NCC#CC.
What is the InChIKey of N-prop-1-en-2-ylbut-2-yn-1-amine?
The InChIKey is OSIVAMFKSAHDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-4-5-6-8-7(2)3/h8H,2,6H2,1,3H3.
What are the key properties of N-prop-1-en-2-ylbut-2-yn-1-amine?
N-prop-1-en-2-ylbut-2-yn-1-amine has a molecular weight of 109.17 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-ylbut-2-yn-1-amine is sourced from PubChem (CID 118697903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).