(3S)-3-(aminomethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide

C14H26N4O — CID 106104964

IUPAC(3S)-3-(aminomethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide
SMILESCC(C)C[C@H](CN)CC(=O)NCCc1ccn(C)n1
InChIInChI=1S/C14H26N4O/c1-11(2)8-12(10-15)9-14(19)16-6-4-13-5-7-18(3)17-13/h5,7,11-12H,4,6,8-10,15H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKeyJEPANCVRLAOACG-LBPRGKRZSA-N
MW266.39 g/mol
LogP1.09
Rot. Bonds8

About (3S)-3-(aminomethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide

(3S)-3-(aminomethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide (PubChem CID 106104964) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide
PubChem CID106104964
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name(3S)-3-(aminomethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide
SMILESCC(C)C[C@H](CN)CC(=O)NCCc1ccn(C)n1
InChIInChI=1S/C14H26N4O/c1-11(2)8-12(10-15)9-14(19)16-6-4-13-5-7-18(3)17-13/h5,7,11-12H,4,6,8-10,15H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKeyJEPANCVRLAOACG-LBPRGKRZSA-N
XLogP1.09
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide
CID 82882413
3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide
CID 114143955
3-amino-4,4-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143974
2-[4-(aminomethyl)phenyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106103870
4-(2-aminoethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide
CID 106105094
3-(aminomethyl)-5-methyl-1-(1-methylpyrazol-3-yl)hexan-1-one
CID 103133201
2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105100
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]propanamide
CID 106104407
(2S)-2-amino-3-methyl-N-[2-[2-(1-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]butanamide
CID 106105106
4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143984
3-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylhexanamide
CID 112669544
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide?
The IUPAC name of (3S)-3-(aminomethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide (CID 106104964) is (3S)-3-(aminomethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide?
The canonical SMILES for (3S)-3-(aminomethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide is CC(C)C[C@H](CN)CC(=O)NCCc1ccn(C)n1.
What is the InChIKey of (3S)-3-(aminomethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide?
The InChIKey is JEPANCVRLAOACG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(2)8-12(10-15)9-14(19)16-6-4-13-5-7-18(3)17-13/h5,7,11-12H,4,6,8-10,15H2,1-3H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide?
(3S)-3-(aminomethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide has a molecular weight of 266.39 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide is sourced from PubChem (CID 106104964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).