2,3,3-trimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine

C16H30N4 — CID 102627735

IUPAC2,3,3-trimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
SMILESCC1C(N)CCC(CN(C)Cc2cnn(C)c2)C1(C)C
InChIInChI=1S/C16H30N4/c1-12-15(17)7-6-14(16(12,2)3)11-19(4)9-13-8-18-20(5)10-13/h8,10,12,14-15H,6-7,9,11,17H2,1-5H3
InChIKeyMZYIXOTYIOUPPQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.25
Rot. Bonds4

About 2,3,3-trimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine

2,3,3-trimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine (PubChem CID 102627735) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
PubChem CID102627735
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2,3,3-trimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
SMILESCC1C(N)CCC(CN(C)Cc2cnn(C)c2)C1(C)C
InChIInChI=1S/C16H30N4/c1-12-15(17)7-6-14(16(12,2)3)11-19(4)9-13-8-18-20(5)10-13/h8,10,12,14-15H,6-7,9,11,17H2,1-5H3
InChIKeyMZYIXOTYIOUPPQ-UHFFFAOYSA-N
XLogP2.25
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-amine
CID 55094427
N,2,2-trimethyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclopentan-1-amine
CID 79866875
N-ethyl-2,2-dimethyl-6-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 79842887
N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine
CID 62610534
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylcycloheptan-1-amine
CID 62610535
N-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 114421337
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 62610810
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62703993
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389
4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine
CID 61438178

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine?
The IUPAC name of 2,3,3-trimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine (CID 102627735) is 2,3,3-trimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine is CC1C(N)CCC(CN(C)Cc2cnn(C)c2)C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine?
The InChIKey is MZYIXOTYIOUPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12-15(17)7-6-14(16(12,2)3)11-19(4)9-13-8-18-20(5)10-13/h8,10,12,14-15H,6-7,9,11,17H2,1-5H3.
What are the key properties of 2,3,3-trimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine?
2,3,3-trimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 102627735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).