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

C18H33N3 — CID 81025279

IUPACN-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine
SMILESCCCC1CCC(CNC(C)C)C(Cc2nccn2C)C1
InChIInChI=1S/C18H33N3/c1-5-6-15-7-8-16(13-20-14(2)3)17(11-15)12-18-19-9-10-21(18)4/h9-10,14-17,20H,5-8,11-13H2,1-4H3
InChIKeyNDKMYHPQPQGFMV-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.79
Rot. Bonds7

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

N-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine (PubChem CID 81025279) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine
PubChem CID81025279
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine
SMILESCCCC1CCC(CNC(C)C)C(Cc2nccn2C)C1
InChIInChI=1S/C18H33N3/c1-5-6-15-7-8-16(13-20-14(2)3)17(11-15)12-18-19-9-10-21(18)4/h9-10,14-17,20H,5-8,11-13H2,1-4H3
InChIKeyNDKMYHPQPQGFMV-UHFFFAOYSA-N
XLogP3.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4,4-dimethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81031100
N-[[4-propyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 104737410
N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 114533031
2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025135
N-[(2-prop-2-enyl-4-propylcyclohexyl)methyl]propan-2-amine
CID 81029906
N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 81029613
N-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
CID 115664709
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine
CID 63025830
N-[[2-(4-bromo-1-methylpyrazol-5-yl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 114667511
4-ethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 81021464
N-ethyl-2-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine
CID 79761914
2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 79761258

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine (CID 81025279) is N-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine is CCCC1CCC(CNC(C)C)C(Cc2nccn2C)C1.
What is the InChIKey of N-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine?
The InChIKey is NDKMYHPQPQGFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-6-15-7-8-16(13-20-14(2)3)17(11-15)12-18-19-9-10-21(18)4/h9-10,14-17,20H,5-8,11-13H2,1-4H3.
What are the key properties of N-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine?
N-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81025279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).