N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-yn-1-amine

C11H17N3 — CID 103914331

IUPACN-[1-(1-methylimidazol-2-yl)ethyl]pent-4-yn-1-amine
SMILESC#CCCCNC(C)c1nccn1C
InChIInChI=1S/C11H17N3/c1-4-5-6-7-12-10(2)11-13-8-9-14(11)3/h1,8-10,12H,5-7H2,2-3H3
InChIKeyAMIVFTVYDGKBEE-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.48
Rot. Bonds5

About N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-yn-1-amine

N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-yn-1-amine (PubChem CID 103914331) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-yn-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylimidazol-2-yl)ethyl]pent-4-yn-1-amine
PubChem CID103914331
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-[1-(1-methylimidazol-2-yl)ethyl]pent-4-yn-1-amine
SMILESC#CCCCNC(C)c1nccn1C
InChIInChI=1S/C11H17N3/c1-4-5-6-7-12-10(2)11-13-8-9-14(11)3/h1,8-10,12H,5-7H2,2-3H3
InChIKeyAMIVFTVYDGKBEE-UHFFFAOYSA-N
XLogP1.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.48
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

4,4,4-trifluoro-N-[1-(1-methylimidazol-2-yl)ethyl]butan-1-amine
CID 115516455
5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide
CID 106234642
N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 103913887
N-[1-(1-methylimidazol-2-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64548472
N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115901512
2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol
CID 65104045
N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine
CID 115872152
tert-butyl N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
CID 103913862
N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide
CID 106335969
1-(1-methylimidazol-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682912
N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine
CID 63200047
2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 115859990

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-yn-1-amine?
The IUPAC name of N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-yn-1-amine (CID 103914331) is N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-yn-1-amine.
What is the SMILES notation for N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-yn-1-amine?
The canonical SMILES for N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-yn-1-amine is C#CCCCNC(C)c1nccn1C.
What is the InChIKey of N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-yn-1-amine?
The InChIKey is AMIVFTVYDGKBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-5-6-7-12-10(2)11-13-8-9-14(11)3/h1,8-10,12H,5-7H2,2-3H3.
What are the key properties of N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-yn-1-amine?
N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-yn-1-amine has a molecular weight of 191.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-yn-1-amine is sourced from PubChem (CID 103914331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).