4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine

C14H27N3 — CID 113243466

IUPAC4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine
SMILESCCC(C)CC(C)NCc1cnn(C(C)C)c1
InChIInChI=1S/C14H27N3/c1-6-12(4)7-13(5)15-8-14-9-16-17(10-14)11(2)3/h9-13,15H,6-8H2,1-5H3
InChIKeySLRMEKONUZIWET-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.38
Rot. Bonds7

About 4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine

4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine (PubChem CID 113243466) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine
PubChem CID113243466
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine
SMILESCCC(C)CC(C)NCc1cnn(C(C)C)c1
InChIInChI=1S/C14H27N3/c1-6-12(4)7-13(5)15-8-14-9-16-17(10-14)11(2)3/h9-13,15H,6-8H2,1-5H3
InChIKeySLRMEKONUZIWET-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
N-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine
CID 106936984
N-[(1-propan-2-ylpyrazol-4-yl)methyl]pent-4-yn-2-amine
CID 103707752
N-[(1-propan-2-ylpyrazol-4-yl)methyl]but-3-en-2-amine
CID 115691236
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 115622994
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 115630774
3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 113243338
4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol
CID 103700974
3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]pentan-1-ol
CID 103748663
N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine;hydrochloride
CID 126967036
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 114075416

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine?
The IUPAC name of 4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine (CID 113243466) is 4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine.
What is the SMILES notation for 4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine?
The canonical SMILES for 4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine is CCC(C)CC(C)NCc1cnn(C(C)C)c1.
What is the InChIKey of 4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine?
The InChIKey is SLRMEKONUZIWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-12(4)7-13(5)15-8-14-9-16-17(10-14)11(2)3/h9-13,15H,6-8H2,1-5H3.
What are the key properties of 4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine?
4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine is sourced from PubChem (CID 113243466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).