N,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine

C17H32N4 — CID 43766465

IUPACN,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine
SMILESCC(C)c1nn(C)cc1CNCC1(N(C)C)CCCCC1
InChIInChI=1S/C17H32N4/c1-14(2)16-15(12-21(5)19-16)11-18-13-17(20(3)4)9-7-6-8-10-17/h12,14,18H,6-11,13H2,1-5H3
InChIKeyQHLBENQQYSJPAC-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.90
Rot. Bonds6

About N,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine

N,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine (PubChem CID 43766465) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine
PubChem CID43766465
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine
SMILESCC(C)c1nn(C)cc1CNCC1(N(C)C)CCCCC1
InChIInChI=1S/C17H32N4/c1-14(2)16-15(12-21(5)19-16)11-18-13-17(20(3)4)9-7-6-8-10-17/h12,14,18H,6-11,13H2,1-5H3
InChIKeyQHLBENQQYSJPAC-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine
CID 103753035
1-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105414949
N,N-dimethyl-1-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine
CID 47611796
N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888952
N,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine
CID 105415593
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
N,N,2,2-tetramethyl-N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 43758950
N',N'-diethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 43761834
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353474
2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine
CID 43771693
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 43755432
2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 43755117

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine (CID 43766465) is N,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine is CC(C)c1nn(C)cc1CNCC1(N(C)C)CCCCC1.
What is the InChIKey of N,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine?
The InChIKey is QHLBENQQYSJPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-14(2)16-15(12-21(5)19-16)11-18-13-17(20(3)4)9-7-6-8-10-17/h12,14,18H,6-11,13H2,1-5H3.
What are the key properties of N,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine?
N,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 43766465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).