3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine

C10H16ClN3 — CID 114531771

IUPAC3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine
SMILESCn1ccnc1CCNC1CC(Cl)C1
InChIInChI=1S/C10H16ClN3/c1-14-5-4-13-10(14)2-3-12-9-6-8(11)7-9/h4-5,8-9,12H,2-3,6-7H2,1H3
InChIKeyNBOYMWATQXEVNL-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.32
Rot. Bonds4

About 3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine

3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 114531771) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine
PubChem CID114531771
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine
SMILESCn1ccnc1CCNC1CC(Cl)C1
InChIInChI=1S/C10H16ClN3/c1-14-5-4-13-10(14)2-3-12-9-6-8(11)7-9/h4-5,8-9,12H,2-3,6-7H2,1H3
InChIKeyNBOYMWATQXEVNL-UHFFFAOYSA-N
XLogP1.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 64501340
3-(4-bromophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine
CID 61211079
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214727
N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 61210136
1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
CID 81344994
N-[2-(1-methylimidazol-2-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 61211081
N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 61215283
N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxothian-3-amine
CID 63923427
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 61211277
tert-butyl N-[4-[2-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]carbamate
CID 103715474
2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214730

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine (CID 114531771) is 3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine is Cn1ccnc1CCNC1CC(Cl)C1.
What is the InChIKey of 3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is NBOYMWATQXEVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-14-5-4-13-10(14)2-3-12-9-6-8(11)7-9/h4-5,8-9,12H,2-3,6-7H2,1H3.
What are the key properties of 3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine?
3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 213.71 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 114531771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).