2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine

C16H32N4 — CID 43771693

IUPAC2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine
SMILESCC(C)CC(CNCc1cn(C)nc1C(C)C)N(C)C
InChIInChI=1S/C16H32N4/c1-12(2)8-15(19(5)6)10-17-9-14-11-20(7)18-16(14)13(3)4/h11-13,15,17H,8-10H2,1-7H3
InChIKeyHORPNYSAGYOEQI-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.61
Rot. Bonds8

About 2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine

2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine (PubChem CID 43771693) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine
PubChem CID43771693
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine
SMILESCC(C)CC(CNCc1cn(C)nc1C(C)C)N(C)C
InChIInChI=1S/C16H32N4/c1-12(2)8-15(19(5)6)10-17-9-14-11-20(7)18-16(14)13(3)4/h11-13,15,17H,8-10H2,1-7H3
InChIKeyHORPNYSAGYOEQI-UHFFFAOYSA-N
XLogP2.61
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine with MolForge

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
2-[[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid
CID 122128147
4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentan-1-amine
CID 54893522
2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine
CID 115682285
N,N,2,2-tetramethyl-N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 43758950
N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888952
N',N'-diethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 43761834
2-N,2-N,4-trimethyl-1-N-[(2,4,5-trifluorophenyl)methyl]pentane-1,2-diamine
CID 103792523
2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 43755117
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 43755432
N,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 43766465
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 43757047

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine?
The IUPAC name of 2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine (CID 43771693) is 2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine?
The canonical SMILES for 2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine is CC(C)CC(CNCc1cn(C)nc1C(C)C)N(C)C.
What is the InChIKey of 2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine?
The InChIKey is HORPNYSAGYOEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-12(2)8-15(19(5)6)10-17-9-14-11-20(7)18-16(14)13(3)4/h11-13,15,17H,8-10H2,1-7H3.
What are the key properties of 2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine?
2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine has a molecular weight of 280.46 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 43771693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).