5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine

C14H27N3 — CID 103029608

IUPAC5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
SMILESCC(CC(N)CCc1cnn(C)c1)C(C)(C)C
InChIInChI=1S/C14H27N3/c1-11(14(2,3)4)8-13(15)7-6-12-9-16-17(5)10-12/h9-11,13H,6-8,15H2,1-5H3
InChIKeyIDWJDJJPBCKFKB-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.75
Rot. Bonds5

About 5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine

5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine (PubChem CID 103029608) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine.

Molecular Properties

Compound Name5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
PubChem CID103029608
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
SMILESCC(CC(N)CCc1cnn(C)c1)C(C)(C)C
InChIInChI=1S/C14H27N3/c1-11(14(2,3)4)8-13(15)7-6-12-9-16-17(5)10-12/h9-11,13H,6-8,15H2,1-5H3
InChIKeyIDWJDJJPBCKFKB-UHFFFAOYSA-N
XLogP2.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103012385
1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103544205
4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103011040
6-(1-methylpyrazol-4-yl)hexan-3-amine
CID 64506048
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
1-(benzimidazol-1-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103029759
3-methyl-5-(1-methylpyrazol-4-yl)pentan-2-one
CID 103004218
3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol
CID 114981879
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669
1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011534
5-amino-6,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-one
CID 103024107
4-amino-6,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-2-one
CID 116614716

Frequently Asked Questions

What is the IUPAC name of 5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine?
The IUPAC name of 5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine (CID 103029608) is 5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine.
What is the SMILES notation for 5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine?
The canonical SMILES for 5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine is CC(CC(N)CCc1cnn(C)c1)C(C)(C)C.
What is the InChIKey of 5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine?
The InChIKey is IDWJDJJPBCKFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-11(14(2,3)4)8-13(15)7-6-12-9-16-17(5)10-12/h9-11,13H,6-8,15H2,1-5H3.
What are the key properties of 5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine?
5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine has a molecular weight of 237.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine is sourced from PubChem (CID 103029608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).