N-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine

C14H27N3 — CID 62565525

IUPACN-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCn1ccnc1CC
InChIInChI=1S/C14H27N3/c1-4-6-7-8-13(3)15-9-11-17-12-10-16-14(17)5-2/h10,12-13,15H,4-9,11H2,1-3H3
InChIKeyWQEBBCIVDDQKIM-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.00
Rot. Bonds9

About N-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine

N-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine (PubChem CID 62565525) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine
PubChem CID62565525
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCn1ccnc1CC
InChIInChI=1S/C14H27N3/c1-4-6-7-8-13(3)15-9-11-17-12-10-16-14(17)5-2/h10,12-13,15H,4-9,11H2,1-3H3
InChIKeyWQEBBCIVDDQKIM-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine?
The IUPAC name of N-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine (CID 62565525) is N-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine.
What is the SMILES notation for N-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine?
The canonical SMILES for N-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine is CCCCCC(C)NCCn1ccnc1CC.
What is the InChIKey of N-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine?
The InChIKey is WQEBBCIVDDQKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-6-7-8-13(3)15-9-11-17-12-10-16-14(17)5-2/h10,12-13,15H,4-9,11H2,1-3H3.
What are the key properties of N-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine?
N-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine is sourced from PubChem (CID 62565525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).