N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine

C13H25N3 — CID 62516241

IUPACN-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
SMILESCCC(CNCC(C)C)Cc1cnn(C)c1
InChIInChI=1S/C13H25N3/c1-5-12(8-14-7-11(2)3)6-13-9-15-16(4)10-13/h9-12,14H,5-8H2,1-4H3
InChIKeyQMHAEIIPTSPSAQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.23
Rot. Bonds7

About N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine

N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine (PubChem CID 62516241) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
PubChem CID62516241
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
SMILESCCC(CNCC(C)C)Cc1cnn(C)c1
InChIInChI=1S/C13H25N3/c1-5-12(8-14-7-11(2)3)6-13-9-15-16(4)10-13/h9-12,14H,5-8H2,1-4H3
InChIKeyQMHAEIIPTSPSAQ-UHFFFAOYSA-N
XLogP2.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 61349630
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 62461742
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine
CID 55072634
2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine
CID 79430703
3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 103014335
2-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diol
CID 79450253
N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62530457
N-[2-(3-bromophenyl)-3-(1-methylpyrazol-4-yl)propyl]-2-methylpropan-1-amine
CID 79429956
2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 62505722
2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 63522949
3-(1-ethylpyrazol-4-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62528296
2-methyl-3-(1-methylpyrazol-4-yl)propanal
CID 64666214

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine (CID 62516241) is N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine is CCC(CNCC(C)C)Cc1cnn(C)c1.
What is the InChIKey of N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine?
The InChIKey is QMHAEIIPTSPSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-12(8-14-7-11(2)3)6-13-9-15-16(4)10-13/h9-12,14H,5-8H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine?
N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 62516241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).