3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide

C13H24N4O — CID 82882413

IUPAC3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide
SMILESCC(C)CC(CN)CC(=O)NCc1ccn(C)n1
InChIInChI=1S/C13H24N4O/c1-10(2)6-11(8-14)7-13(18)15-9-12-4-5-17(3)16-12/h4-5,10-11H,6-9,14H2,1-3H3,(H,15,18)
InChIKeyNCONSVRYCIZGBC-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.05
Rot. Bonds7

About 3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide

3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide (PubChem CID 82882413) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide
PubChem CID82882413
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide
SMILESCC(C)CC(CN)CC(=O)NCc1ccn(C)n1
InChIInChI=1S/C13H24N4O/c1-10(2)6-11(8-14)7-13(18)15-9-12-4-5-17(3)16-12/h4-5,10-11H,6-9,14H2,1-3H3,(H,15,18)
InChIKeyNCONSVRYCIZGBC-UHFFFAOYSA-N
XLogP1.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(aminomethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide
CID 106104964
3-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylhexanamide
CID 112669544
3-(aminomethyl)-5-methyl-1-(1-methylpyrazol-3-yl)hexan-1-one
CID 103133201
4-(2-aminoethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide
CID 82872970
(2R)-4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 82874077
4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 82867015
(2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82882870
2-bromo-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 107905639
3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700340
2-methoxy-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 115870664
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]-3-oxopropanoic acid
CID 114898886
(2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82873249

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide?
The IUPAC name of 3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide (CID 82882413) is 3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide?
The canonical SMILES for 3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide is CC(C)CC(CN)CC(=O)NCc1ccn(C)n1.
What is the InChIKey of 3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide?
The InChIKey is NCONSVRYCIZGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)6-11(8-14)7-13(18)15-9-12-4-5-17(3)16-12/h4-5,10-11H,6-9,14H2,1-3H3,(H,15,18).
What are the key properties of 3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide?
3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide has a molecular weight of 252.36 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide is sourced from PubChem (CID 82882413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).