N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine

C16H29N3 — CID 65395611

IUPACN-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1C)C1CCC(CC)CC1
InChIInChI=1S/C16H29N3/c1-4-10-17-15(16-18-11-12-19(16)3)14-8-6-13(5-2)7-9-14/h11-15,17H,4-10H2,1-3H3
InChIKeyGNPOAYCINXTOJX-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.68
Rot. Bonds6

About N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine

N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 65395611) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
PubChem CID65395611
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1C)C1CCC(CC)CC1
InChIInChI=1S/C16H29N3/c1-4-10-17-15(16-18-11-12-19(16)3)14-8-6-13(5-2)7-9-14/h11-15,17H,4-10H2,1-3H3
InChIKeyGNPOAYCINXTOJX-UHFFFAOYSA-N
XLogP3.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65399979
(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65393926
N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine
CID 80603968
N-[(4-ethylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 65395621
N-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115860068
N-[(2,6-dimethyl-4-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 107504016
N-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine
CID 63974331
N-[(4-ethylmorpholin-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 79668962
(1-methylimidazol-2-yl)-(4-propylcyclohexyl)methanamine
CID 65423372
N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 64776035
2-(6-bromonaphthalen-2-yl)oxy-N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]ethanamine
CID 75497373
N-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 105155357

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine (CID 65395611) is N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine is CCCNC(c1nccn1C)C1CCC(CC)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is GNPOAYCINXTOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-10-17-15(16-18-11-12-19(16)3)14-8-6-13(5-2)7-9-14/h11-15,17H,4-10H2,1-3H3.
What are the key properties of N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 65395611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).