2-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]hexan-1-amine

C15H29N3 — CID 114004597

IUPAC2-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]hexan-1-amine
SMILESCCCCC(CC)CNCc1cc(CC)nn1C
InChIInChI=1S/C15H29N3/c1-5-8-9-13(6-2)11-16-12-15-10-14(7-3)17-18(15)4/h10,13,16H,5-9,11-12H2,1-4H3
InChIKeyVFSKYCVLFCIPOJ-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.29
Rot. Bonds9

About 2-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]hexan-1-amine

2-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]hexan-1-amine (PubChem CID 114004597) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]hexan-1-amine
PubChem CID114004597
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]hexan-1-amine
SMILESCCCCC(CC)CNCc1cc(CC)nn1C
InChIInChI=1S/C15H29N3/c1-5-8-9-13(6-2)11-16-12-15-10-14(7-3)17-18(15)4/h10,13,16H,5-9,11-12H2,1-4H3
InChIKeyVFSKYCVLFCIPOJ-UHFFFAOYSA-N
XLogP3.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-3-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine
CID 106286036
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine
CID 79405999
3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine
CID 105102750
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine
CID 79578441
1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol
CID 115813546
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-iodopentan-1-amine
CID 107320052
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-ethylhexan-1-amine
CID 107815854
N-[(4,5-dibromothiophen-2-yl)methyl]-2-ethylhexan-1-amine
CID 102830883
2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine
CID 63420299
1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79236885
(2S)-2-ethyl-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 7036530
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine
CID 104999295

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]hexan-1-amine (CID 114004597) is 2-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]hexan-1-amine is CCCCC(CC)CNCc1cc(CC)nn1C.
What is the InChIKey of 2-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]hexan-1-amine?
The InChIKey is VFSKYCVLFCIPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-8-9-13(6-2)11-16-12-15-10-14(7-3)17-18(15)4/h10,13,16H,5-9,11-12H2,1-4H3.
What are the key properties of 2-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]hexan-1-amine?
2-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]hexan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]hexan-1-amine is sourced from PubChem (CID 114004597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).