N-[(5-chloro-1-methylimidazol-2-yl)methyl]pentan-3-amine

C10H18ClN3 — CID 43088151

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCc1ncc(Cl)n1C
InChIInChI=1S/C10H18ClN3/c1-4-8(5-2)12-7-10-13-6-9(11)14(10)3/h6,8,12H,4-5,7H2,1-3H3
InChIKeyCUEQVMDZSNSFJL-UHFFFAOYSA-N
MW215.73 g/mol
LogP2.35
Rot. Bonds5

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]pentan-3-amine

N-[(5-chloro-1-methylimidazol-2-yl)methyl]pentan-3-amine (PubChem CID 43088151) has the molecular formula C10H18ClN3 and a molecular weight of 215.73 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]pentan-3-amine
PubChem CID43088151
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCc1ncc(Cl)n1C
InChIInChI=1S/C10H18ClN3/c1-4-8(5-2)12-7-10-13-6-9(11)14(10)3/h6,8,12H,4-5,7H2,1-3H3
InChIKeyCUEQVMDZSNSFJL-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]pentan-3-amine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]pentan-3-amine (CID 43088151) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]pentan-3-amine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]pentan-3-amine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]pentan-3-amine is CCC(CC)NCc1ncc(Cl)n1C.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]pentan-3-amine?
The InChIKey is CUEQVMDZSNSFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3/c1-4-8(5-2)12-7-10-13-6-9(11)14(10)3/h6,8,12H,4-5,7H2,1-3H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]pentan-3-amine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]pentan-3-amine has a molecular weight of 215.73 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]pentan-3-amine is sourced from PubChem (CID 43088151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).