N-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine

C12H21N3O — CID 106560081

IUPACN-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
SMILESCCCCNc1nccn1CC1CCCO1
InChIInChI=1S/C12H21N3O/c1-2-3-6-13-12-14-7-8-15(12)10-11-5-4-9-16-11/h7-8,11H,2-6,9-10H2,1H3,(H,13,14)
InChIKeyNAQSRHSUCHBLBU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.27
Rot. Bonds6

About N-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine

N-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine (PubChem CID 106560081) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
PubChem CID106560081
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
SMILESCCCCNc1nccn1CC1CCCO1
InChIInChI=1S/C12H21N3O/c1-2-3-6-13-12-14-7-8-15(12)10-11-5-4-9-16-11/h7-8,11H,2-6,9-10H2,1H3,(H,13,14)
InChIKeyNAQSRHSUCHBLBU-UHFFFAOYSA-N
XLogP2.27
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560093
N-cyclopropyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560113
N-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106567498
N-butyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565244
N-butyl-1-(thian-2-ylmethyl)imidazol-2-amine
CID 106577111
N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560082
N-[2-(oxolan-2-yl)ethyl]-1-prop-2-enylimidazol-2-amine
CID 106567466
2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole
CID 87111262
N-butyl-1-hexylimidazol-2-amine
CID 106573794
N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574296
N-butyl-1-cyclobutylimidazol-2-amine
CID 106571396
1-[(4-methylcyclohexyl)methyl]-N-propylimidazol-2-amine
CID 106571771

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine?
The IUPAC name of N-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine (CID 106560081) is N-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for N-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for N-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine is CCCCNc1nccn1CC1CCCO1.
What is the InChIKey of N-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine?
The InChIKey is NAQSRHSUCHBLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-3-6-13-12-14-7-8-15(12)10-11-5-4-9-16-11/h7-8,11H,2-6,9-10H2,1H3,(H,13,14).
What are the key properties of N-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine?
N-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106560081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).