2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine

C18H35N3 — CID 64777521

IUPAC2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)(CNCC)Cc1ccn(C(C)CC)n1
InChIInChI=1S/C18H35N3/c1-6-10-12-18(8-3,15-19-9-4)14-17-11-13-21(20-17)16(5)7-2/h11,13,16,19H,6-10,12,14-15H2,1-5H3
InChIKeyNTUUDGJGSBSCFA-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.59
Rot. Bonds11

About 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine

2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine (PubChem CID 64777521) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine.

Molecular Properties

Compound Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine
PubChem CID64777521
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)(CNCC)Cc1ccn(C(C)CC)n1
InChIInChI=1S/C18H35N3/c1-6-10-12-18(8-3,15-19-9-4)14-17-11-13-21(20-17)16(5)7-2/h11,13,16,19H,6-10,12,14-15H2,1-5H3
InChIKeyNTUUDGJGSBSCFA-UHFFFAOYSA-N
XLogP4.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylhexan-1-amine
CID 64773388
2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-1-amine
CID 64779275
3-[2,2-bis(chloromethyl)pentyl]-1-butan-2-ylpyrazole
CID 79446937
N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine
CID 63509469
1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine
CID 65020467
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83159858
3-[2,2-bis(chloromethyl)-4-methylpentyl]-1-butan-2-ylpyrazole
CID 79448133
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine
CID 83139112
2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64779471
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol
CID 82871026
5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine
CID 64778198
N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine
CID 105374931

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine?
The IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine (CID 64777521) is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine.
What is the SMILES notation for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine?
The canonical SMILES for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine is CCCCC(CC)(CNCC)Cc1ccn(C(C)CC)n1.
What is the InChIKey of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine?
The InChIKey is NTUUDGJGSBSCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-6-10-12-18(8-3,15-19-9-4)14-17-11-13-21(20-17)16(5)7-2/h11,13,16,19H,6-10,12,14-15H2,1-5H3.
What are the key properties of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine?
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.59, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine is sourced from PubChem (CID 64777521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).