N-ethyl-2-methyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine

C17H33N3 — CID 64777005

IUPACN-ethyl-2-methyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine
SMILESCCNC(CCCc1ccn(C(CC)CC)n1)C(C)C
InChIInChI=1S/C17H33N3/c1-6-16(7-2)20-13-12-15(19-20)10-9-11-17(14(4)5)18-8-3/h12-14,16-18H,6-11H2,1-5H3
InChIKeyPDZWHICJTIFOLB-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.20
Rot. Bonds10

About N-ethyl-2-methyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine

N-ethyl-2-methyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine (PubChem CID 64777005) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-ethyl-2-methyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine
PubChem CID64777005
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-ethyl-2-methyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine
SMILESCCNC(CCCc1ccn(C(CC)CC)n1)C(C)C
InChIInChI=1S/C17H33N3/c1-6-16(7-2)20-13-12-15(19-20)10-9-11-17(14(4)5)18-8-3/h12-14,16-18H,6-11H2,1-5H3
InChIKeyPDZWHICJTIFOLB-UHFFFAOYSA-N
XLogP4.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,2-dimethyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine
CID 64777204
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-3-amine
CID 64783818
3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
CID 64778701
N-ethyl-2-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-1-amine
CID 64777207
2-methyl-N-[3-(1-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine
CID 64778089
4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 64777271
2-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butanoic acid
CID 81008710
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine
CID 64783240
6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine
CID 104812013
N-ethyl-6-(5-ethyl-2-pyridinyl)-2-methylhexan-3-amine
CID 79738784
6-(1-butan-2-ylpyrazol-3-yl)-2-methylhexan-3-amine
CID 64778152
3-(4-bromo-5-methylhexyl)-1-butan-2-ylpyrazole
CID 64778955

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine?
The IUPAC name of N-ethyl-2-methyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine (CID 64777005) is N-ethyl-2-methyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine.
What is the SMILES notation for N-ethyl-2-methyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine?
The canonical SMILES for N-ethyl-2-methyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine is CCNC(CCCc1ccn(C(CC)CC)n1)C(C)C.
What is the InChIKey of N-ethyl-2-methyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine?
The InChIKey is PDZWHICJTIFOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-6-16(7-2)20-13-12-15(19-20)10-9-11-17(14(4)5)18-8-3/h12-14,16-18H,6-11H2,1-5H3.
What are the key properties of N-ethyl-2-methyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine?
N-ethyl-2-methyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine has a molecular weight of 279.47 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine is sourced from PubChem (CID 64777005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).