4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine

C14H27N3 — CID 114555867

IUPAC4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine
SMILESCCCn1nccc1CNC(C)CC(C)CC
InChIInChI=1S/C14H27N3/c1-5-9-17-14(7-8-16-17)11-15-13(4)10-12(3)6-2/h7-8,12-13,15H,5-6,9-11H2,1-4H3
InChIKeyHCLGZMLVTXQABH-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.21
Rot. Bonds8

About 4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine

4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine (PubChem CID 114555867) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine
PubChem CID114555867
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine
SMILESCCCn1nccc1CNC(C)CC(C)CC
InChIInChI=1S/C14H27N3/c1-5-9-17-14(7-8-16-17)11-15-13(4)10-12(3)6-2/h7-8,12-13,15H,5-6,9-11H2,1-4H3
InChIKeyHCLGZMLVTXQABH-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine
CID 114555629
4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 114555939
(2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
CID 104939501
(1S)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986059
(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986058
4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 106348790
4-(furan-2-yl)-N-[(2-propylpyrazol-3-yl)methyl]butan-2-amine
CID 114554873
methyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate
CID 114555320
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114554830
N-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine
CID 114556013
N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine
CID 114555701

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine?
The IUPAC name of 4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine (CID 114555867) is 4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine.
What is the SMILES notation for 4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine?
The canonical SMILES for 4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine is CCCn1nccc1CNC(C)CC(C)CC.
What is the InChIKey of 4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine?
The InChIKey is HCLGZMLVTXQABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-9-17-14(7-8-16-17)11-15-13(4)10-12(3)6-2/h7-8,12-13,15H,5-6,9-11H2,1-4H3.
What are the key properties of 4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine?
4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine is sourced from PubChem (CID 114555867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).