2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine

C16H30N4 — CID 63025830

IUPAC2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CN(C)Cc2nccn2C)C1
InChIInChI=1S/C16H30N4/c1-4-5-13-6-7-15(17)14(10-13)11-19(2)12-16-18-8-9-20(16)3/h8-9,13-15H,4-7,10-12,17H2,1-3H3
InChIKeyPUWVLGNSYRTOLV-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.40
Rot. Bonds6

About 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine

2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine (PubChem CID 63025830) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine
PubChem CID63025830
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CN(C)Cc2nccn2C)C1
InChIInChI=1S/C16H30N4/c1-4-5-13-6-7-15(17)14(10-13)11-19(2)12-16-18-8-9-20(16)3/h8-9,13-15H,4-7,10-12,17H2,1-3H3
InChIKeyPUWVLGNSYRTOLV-UHFFFAOYSA-N
XLogP2.40
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine
CID 63836320
N-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine
CID 81025279
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 94939254
2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 79761258
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine
CID 102775975
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55094427
2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 62608925
1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65459116
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 112664707
2-(aminomethyl)-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 63013726
1-amino-2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]cyclopentane-1-carboxylic acid
CID 79564234

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine (CID 63025830) is 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(CN(C)Cc2nccn2C)C1.
What is the InChIKey of 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine?
The InChIKey is PUWVLGNSYRTOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-5-13-6-7-15(17)14(10-13)11-19(2)12-16-18-8-9-20(16)3/h8-9,13-15H,4-7,10-12,17H2,1-3H3.
What are the key properties of 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine?
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63025830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).