N,N,4-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine

C17H32N4 — CID 103011177

IUPACN,N,4-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine
SMILESCNC(CCc1cnn(C)c1)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C17H32N4/c1-14-8-10-17(11-9-14,20(3)4)16(18-2)7-6-15-12-19-21(5)13-15/h12-14,16,18H,6-11H2,1-5H3
InChIKeyQIKPJJFBHUNLAZ-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.45
Rot. Bonds6

About N,N,4-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine

N,N,4-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine (PubChem CID 103011177) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine
PubChem CID103011177
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN,N,4-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine
SMILESCNC(CCc1cnn(C)c1)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C17H32N4/c1-14-8-10-17(11-9-14,20(3)4)16(18-2)7-6-15-12-19-21(5)13-15/h12-14,16,18H,6-11H2,1-5H3
InChIKeyQIKPJJFBHUNLAZ-UHFFFAOYSA-N
XLogP2.45
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-hydrazinyl-3-(1-methylpyrazol-4-yl)propyl]-N,N,4-trimethylcyclohexan-1-amine
CID 103026902
N,N,3-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine
CID 103011187
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008613
N-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009708
N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine
CID 103010653
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
N,N,4-trimethyl-1-[3-methyl-1-(methylamino)butyl]cyclohexan-1-amine
CID 79074140
[1-(1-methoxy-3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103027134
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389
4-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62126227
4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
CID 63358314

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine?
The IUPAC name of N,N,4-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine (CID 103011177) is N,N,4-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine?
The canonical SMILES for N,N,4-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine is CNC(CCc1cnn(C)c1)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of N,N,4-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine?
The InChIKey is QIKPJJFBHUNLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-14-8-10-17(11-9-14,20(3)4)16(18-2)7-6-15-12-19-21(5)13-15/h12-14,16,18H,6-11H2,1-5H3.
What are the key properties of N,N,4-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine?
N,N,4-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 103011177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).