N-but-3-ynyl-4-imidazol-1-ylbutan-1-amine

C11H17N3 — CID 63656270

IUPACN-but-3-ynyl-4-imidazol-1-ylbutan-1-amine
SMILESC#CCCNCCCCn1ccnc1
InChIInChI=1S/C11H17N3/c1-2-3-6-12-7-4-5-9-14-10-8-13-11-14/h1,8,10-12H,3-7,9H2
InChIKeyGZGKPWNXUYSKJW-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.28
Rot. Bonds7

About N-but-3-ynyl-4-imidazol-1-ylbutan-1-amine

N-but-3-ynyl-4-imidazol-1-ylbutan-1-amine (PubChem CID 63656270) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-but-3-ynyl-4-imidazol-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-but-3-ynyl-4-imidazol-1-ylbutan-1-amine
PubChem CID63656270
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-but-3-ynyl-4-imidazol-1-ylbutan-1-amine
SMILESC#CCCNCCCCn1ccnc1
InChIInChI=1S/C11H17N3/c1-2-3-6-12-7-4-5-9-14-10-8-13-11-14/h1,8,10-12H,3-7,9H2
InChIKeyGZGKPWNXUYSKJW-UHFFFAOYSA-N
XLogP1.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-imidazol-1-ylbutylhydrazine
CID 86114724
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
4-imidazol-1-yl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine
CID 61070537
3-imidazol-1-yl-N-(2-methylsulfanylethyl)propan-1-amine
CID 60685316
3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide
CID 62625374
N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine
CID 115406678
4-imidazol-1-ylbutanenitrile
CID 10855507
N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine
CID 61067392
N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide
CID 106054419
N-[(4-chlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine;dihydrochloride
CID 19429491
3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine
CID 114136924

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-4-imidazol-1-ylbutan-1-amine?
The IUPAC name of N-but-3-ynyl-4-imidazol-1-ylbutan-1-amine (CID 63656270) is N-but-3-ynyl-4-imidazol-1-ylbutan-1-amine.
What is the SMILES notation for N-but-3-ynyl-4-imidazol-1-ylbutan-1-amine?
The canonical SMILES for N-but-3-ynyl-4-imidazol-1-ylbutan-1-amine is C#CCCNCCCCn1ccnc1.
What is the InChIKey of N-but-3-ynyl-4-imidazol-1-ylbutan-1-amine?
The InChIKey is GZGKPWNXUYSKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-3-6-12-7-4-5-9-14-10-8-13-11-14/h1,8,10-12H,3-7,9H2.
What are the key properties of N-but-3-ynyl-4-imidazol-1-ylbutan-1-amine?
N-but-3-ynyl-4-imidazol-1-ylbutan-1-amine has a molecular weight of 191.28 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-4-imidazol-1-ylbutan-1-amine is sourced from PubChem (CID 63656270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).