N-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine

C13H23N3 — CID 106936984

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine
SMILESC=Cn1cc(CNC(C)CC(C)CC)cn1
InChIInChI=1S/C13H23N3/c1-5-11(3)7-12(4)14-8-13-9-15-16(6-2)10-13/h6,9-12,14H,2,5,7-8H2,1,3-4H3
InChIKeyLORIRBLWIFQZGE-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.90
Rot. Bonds7

About N-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine

N-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine (PubChem CID 106936984) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine
PubChem CID106936984
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine
SMILESC=Cn1cc(CNC(C)CC(C)CC)cn1
InChIInChI=1S/C13H23N3/c1-5-11(3)7-12(4)14-8-13-9-15-16(6-2)10-13/h6,9-12,14H,2,5,7-8H2,1,3-4H3
InChIKeyLORIRBLWIFQZGE-UHFFFAOYSA-N
XLogP2.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethenylpyrazol-4-yl)methyl]-1-ethylsulfanylpropan-2-amine
CID 106937397
3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol
CID 106937227
2-N-[(1-ethenylpyrazol-4-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 106937204
3-[(1-ethenylpyrazol-4-yl)methylamino]butanamide
CID 106937399
4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine
CID 113243466
1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine
CID 106936896
N-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 106936396
N-[(1-ethenylpyrazol-4-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 106937386
methyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate
CID 106936687
methyl (2S)-2-[(1-ethenylpyrazol-4-yl)methylamino]-3-methylbutanoate
CID 106936086
N-[(1-ethenylpyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 106936694
N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylpentan-3-amine
CID 106936949

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine (CID 106936984) is N-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine is C=Cn1cc(CNC(C)CC(C)CC)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine?
The InChIKey is LORIRBLWIFQZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-11(3)7-12(4)14-8-13-9-15-16(6-2)10-13/h6,9-12,14H,2,5,7-8H2,1,3-4H3.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine?
N-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine is sourced from PubChem (CID 106936984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).