N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine

C14H27N3 — CID 114530055

IUPACN-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine
SMILESCCNC(CCc1nccn1C)CCC(C)C
InChIInChI=1S/C14H27N3/c1-5-15-13(7-6-12(2)3)8-9-14-16-10-11-17(14)4/h10-13,15H,5-9H2,1-4H3
InChIKeyCUGBOLNEDCVVMJ-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.77
Rot. Bonds8

About N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine

N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine (PubChem CID 114530055) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine
PubChem CID114530055
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine
SMILESCCNC(CCc1nccn1C)CCC(C)C
InChIInChI=1S/C14H27N3/c1-5-15-13(7-6-12(2)3)8-9-14-16-10-11-17(14)4/h10-13,15H,5-9H2,1-4H3
InChIKeyCUGBOLNEDCVVMJ-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 105187670
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
[5-methyl-1-(1-methylimidazol-2-yl)hexan-3-yl]hydrazine
CID 105199029
N-ethyl-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 79761819
N-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114530047
N-ethyl-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-amine
CID 114222061
N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 114528660
N-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114530024
N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine
CID 114532985
N-ethyl-1-(1-methylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 79760751
1-(1-methylimidazol-2-yl)-N-propyl-5-pyridin-4-ylpentan-3-amine
CID 105187730
N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine
CID 114530130

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine?
The IUPAC name of N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine (CID 114530055) is N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine.
What is the SMILES notation for N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine?
The canonical SMILES for N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine is CCNC(CCc1nccn1C)CCC(C)C.
What is the InChIKey of N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine?
The InChIKey is CUGBOLNEDCVVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-15-13(7-6-12(2)3)8-9-14-16-10-11-17(14)4/h10-13,15H,5-9H2,1-4H3.
What are the key properties of N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine?
N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine has a molecular weight of 237.39 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine is sourced from PubChem (CID 114530055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).