N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine

C14H27N3 — CID 115821260

IUPACN-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine
SMILESCCCC(CCC)C(Cc1cnn(C)c1)NC
InChIInChI=1S/C14H27N3/c1-5-7-13(8-6-2)14(15-3)9-12-10-16-17(4)11-12/h10-11,13-15H,5-9H2,1-4H3
InChIKeyKGZULJSZGSOSAB-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.77
Rot. Bonds8

About N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine

N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine (PubChem CID 115821260) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine
PubChem CID115821260
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine
SMILESCCCC(CCC)C(Cc1cnn(C)c1)NC
InChIInChI=1S/C14H27N3/c1-5-7-13(8-6-2)14(15-3)9-12-10-16-17(4)11-12/h10-11,13-15H,5-9H2,1-4H3
InChIKeyKGZULJSZGSOSAB-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)hexan-2-amine
CID 115821878
[3-ethoxy-1-(1-methylpyrazol-4-yl)hexan-2-yl]hydrazine
CID 105271422
2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 62505722
1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 116722205
3-methoxy-1-(1-methylpyrazol-4-yl)hexan-2-amine
CID 116718521
1-ethoxy-N-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-amine
CID 116773579
4-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103012254
1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 79495508
1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 115769846
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62530457
N-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine
CID 107234285

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine (CID 115821260) is N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine is CCCC(CCC)C(Cc1cnn(C)c1)NC.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine?
The InChIKey is KGZULJSZGSOSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-7-13(8-6-2)14(15-3)9-12-10-16-17(4)11-12/h10-11,13-15H,5-9H2,1-4H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine?
N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine is sourced from PubChem (CID 115821260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).