N-[2-(1H-imidazol-5-yl)ethyl]-2-propyloxan-4-amine

C13H23N3O — CID 65230541

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2-propyloxan-4-amine
SMILESCCCC1CC(NCCc2cnc[nH]2)CCO1
InChIInChI=1S/C13H23N3O/c1-2-3-13-8-11(5-7-17-13)15-6-4-12-9-14-10-16-12/h9-11,13,15H,2-8H2,1H3,(H,14,16)
InChIKeyMETNNJPGKDMPNF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.89
Rot. Bonds6

About N-[2-(1H-imidazol-5-yl)ethyl]-2-propyloxan-4-amine

N-[2-(1H-imidazol-5-yl)ethyl]-2-propyloxan-4-amine (PubChem CID 65230541) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2-propyloxan-4-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2-propyloxan-4-amine
PubChem CID65230541
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2-propyloxan-4-amine
SMILESCCCC1CC(NCCc2cnc[nH]2)CCO1
InChIInChI=1S/C13H23N3O/c1-2-3-13-8-11(5-7-17-13)15-6-4-12-9-14-10-16-12/h9-11,13,15H,2-8H2,1H3,(H,14,16)
InChIKeyMETNNJPGKDMPNF-UHFFFAOYSA-N
XLogP1.89
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine
CID 79762409
N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658816
4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine
CID 65230583
N-[2-(1H-imidazol-5-yl)ethyl]-1,1-dioxothian-4-amine
CID 65231063
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine
CID 103991149
N-[2-(cyclopropylmethoxy)ethyl]-2-propyloxan-4-amine
CID 103991212
N-[2-(1H-imidazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 65232015
2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxan-4-amine
CID 106395238
N-[2-(1H-imidazol-5-yl)ethyl]adamantan-2-amine
CID 65232016
2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine
CID 65232162
2-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxan-4-amine
CID 106396763
3-(3-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclobutan-1-amine
CID 65232395

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-propyloxan-4-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-propyloxan-4-amine (CID 65230541) is N-[2-(1H-imidazol-5-yl)ethyl]-2-propyloxan-4-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2-propyloxan-4-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2-propyloxan-4-amine is CCCC1CC(NCCc2cnc[nH]2)CCO1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2-propyloxan-4-amine?
The InChIKey is METNNJPGKDMPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-3-13-8-11(5-7-17-13)15-6-4-12-9-14-10-16-12/h9-11,13,15H,2-8H2,1H3,(H,14,16).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2-propyloxan-4-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-2-propyloxan-4-amine has a molecular weight of 237.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2-propyloxan-4-amine is sourced from PubChem (CID 65230541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).