N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine

C16H32N4 — CID 62258803

IUPACN,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC(C)C)CN(C)Cc1cnn(C)c1
InChIInChI=1S/C16H32N4/c1-7-8-16(4,12-17-14(2)3)13-19(5)10-15-9-18-20(6)11-15/h9,11,14,17H,7-8,10,12-13H2,1-6H3
InChIKeyBOIKSRKISMJOBF-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.66
Rot. Bonds9

About N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine

N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine (PubChem CID 62258803) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine
PubChem CID62258803
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC NameN,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC(C)C)CN(C)Cc1cnn(C)c1
InChIInChI=1S/C16H32N4/c1-7-8-16(4,12-17-14(2)3)13-19(5)10-15-9-18-20(6)11-15/h9,11,14,17H,7-8,10,12-13H2,1-6H3
InChIKeyBOIKSRKISMJOBF-UHFFFAOYSA-N
XLogP2.66
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61442014
3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 66452397
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine
CID 61441963
N-tert-butyl-2,2-diethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62260529
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propylethane-1,2-diamine
CID 61441962
2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398
N-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine
CID 62724831
2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol
CID 63193910
2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 115665641
4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol
CID 62625333
1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 104745255

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine (CID 62258803) is N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine is CCCC(C)(CNC(C)C)CN(C)Cc1cnn(C)c1.
What is the InChIKey of N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The InChIKey is BOIKSRKISMJOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-7-8-16(4,12-17-14(2)3)13-19(5)10-15-9-18-20(6)11-15/h9,11,14,17H,7-8,10,12-13H2,1-6H3.
What are the key properties of N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine?
N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine has a molecular weight of 280.46 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine is sourced from PubChem (CID 62258803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).