4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine

C15H28N4 — CID 55094427

IUPAC4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
SMILESCCC1CCC(N)C(CN(C)Cc2cnn(C)c2)C1
InChIInChI=1S/C15H28N4/c1-4-12-5-6-15(16)14(7-12)11-18(2)9-13-8-17-19(3)10-13/h8,10,12,14-15H,4-7,9,11,16H2,1-3H3
InChIKeyBNQYGODGZHTKHS-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.01
Rot. Bonds5

About 4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine

4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine (PubChem CID 55094427) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
PubChem CID55094427
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
SMILESCCC1CCC(N)C(CN(C)Cc2cnn(C)c2)C1
InChIInChI=1S/C15H28N4/c1-4-12-5-6-15(16)14(7-12)11-18(2)9-13-8-17-19(3)10-13/h8,10,12,14-15H,4-7,9,11,16H2,1-3H3
InChIKeyBNQYGODGZHTKHS-UHFFFAOYSA-N
XLogP2.01
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 62610810
4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine
CID 61438178
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 62617070
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one
CID 62612233
4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 55093939
2,3,3-trimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 102627735
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62703993
N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine
CID 62610534
4-ethyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 62615573
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine
CID 62610535
N-ethyl-2,2-dimethyl-6-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 79842887
N,2,2-trimethyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclopentan-1-amine
CID 79866875

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine (CID 55094427) is 4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine is CCC1CCC(N)C(CN(C)Cc2cnn(C)c2)C1.
What is the InChIKey of 4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine?
The InChIKey is BNQYGODGZHTKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-12-5-6-15(16)14(7-12)11-18(2)9-13-8-17-19(3)10-13/h8,10,12,14-15H,4-7,9,11,16H2,1-3H3.
What are the key properties of 4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine?
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 55094427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).