N-[2-(2-methylimidazol-1-yl)ethyl]octan-4-amine

C14H27N3 — CID 103780084

IUPACN-[2-(2-methylimidazol-1-yl)ethyl]octan-4-amine
SMILESCCCCC(CCC)NCCn1ccnc1C
InChIInChI=1S/C14H27N3/c1-4-6-8-14(7-5-2)16-10-12-17-11-9-15-13(17)3/h9,11,14,16H,4-8,10,12H2,1-3H3
InChIKeyGYFHKPNODAGFIX-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.14
Rot. Bonds9

About N-[2-(2-methylimidazol-1-yl)ethyl]octan-4-amine

N-[2-(2-methylimidazol-1-yl)ethyl]octan-4-amine (PubChem CID 103780084) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)ethyl]octan-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)ethyl]octan-4-amine
PubChem CID103780084
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-[2-(2-methylimidazol-1-yl)ethyl]octan-4-amine
SMILESCCCCC(CCC)NCCn1ccnc1C
InChIInChI=1S/C14H27N3/c1-4-6-8-14(7-5-2)16-10-12-17-11-9-15-13(17)3/h9,11,14,16H,4-8,10,12H2,1-3H3
InChIKeyGYFHKPNODAGFIX-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-methylimidazol-1-yl)-N-propylhexan-3-amine
CID 106800208
1-(2-methylimidazol-1-yl)-N-propylpentan-2-amine
CID 62042314
N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 61492853
2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol
CID 61493788
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
2-methyl-1-octylimidazole;hydrate
CID 174602652
1-(2-butoxyethyl)-2-methylimidazole
CID 63810504
fluoroform;1-hexyl-2-methylimidazole
CID 174860235
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
2-[2-(2-methylimidazol-1-yl)ethylamino]-3-phenylpropan-1-ol
CID 63261116
N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine
CID 105012472

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]octan-4-amine?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]octan-4-amine (CID 103780084) is N-[2-(2-methylimidazol-1-yl)ethyl]octan-4-amine.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)ethyl]octan-4-amine?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)ethyl]octan-4-amine is CCCCC(CCC)NCCn1ccnc1C.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)ethyl]octan-4-amine?
The InChIKey is GYFHKPNODAGFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-6-8-14(7-5-2)16-10-12-17-11-9-15-13(17)3/h9,11,14,16H,4-8,10,12H2,1-3H3.
What are the key properties of N-[2-(2-methylimidazol-1-yl)ethyl]octan-4-amine?
N-[2-(2-methylimidazol-1-yl)ethyl]octan-4-amine has a molecular weight of 237.39 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)ethyl]octan-4-amine is sourced from PubChem (CID 103780084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).