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

C18H35N3 — CID 64777204

IUPACN-ethyl-2,2-dimethyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine
SMILESCCNC(CCCc1ccn(C(CC)CC)n1)C(C)(C)C
InChIInChI=1S/C18H35N3/c1-7-16(8-2)21-14-13-15(20-21)11-10-12-17(19-9-3)18(4,5)6/h13-14,16-17,19H,7-12H2,1-6H3
InChIKeyRXXXFYOFJBEWOZ-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.59
Rot. Bonds9

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

N-ethyl-2,2-dimethyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine (PubChem CID 64777204) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine
PubChem CID64777204
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN-ethyl-2,2-dimethyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine
SMILESCCNC(CCCc1ccn(C(CC)CC)n1)C(C)(C)C
InChIInChI=1S/C18H35N3/c1-7-16(8-2)21-14-13-15(20-21)11-10-12-17(19-9-3)18(4,5)6/h13-14,16-17,19H,7-12H2,1-6H3
InChIKeyRXXXFYOFJBEWOZ-UHFFFAOYSA-N
XLogP4.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

N-ethyl-2-methyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine
CID 64777005
3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
CID 64778701
3-ethoxy-N-ethyl-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 116726981
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
N-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine
CID 79738785
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine
CID 64783240
N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
CID 62600038
4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 64777271
2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol
CID 80557979
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-3-amine
CID 64783818
3-[(1-butan-2-ylpyrazol-3-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106349604

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine (CID 64777204) is N-ethyl-2,2-dimethyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine is CCNC(CCCc1ccn(C(CC)CC)n1)C(C)(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine?
The InChIKey is RXXXFYOFJBEWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-7-16(8-2)21-14-13-15(20-21)11-10-12-17(19-9-3)18(4,5)6/h13-14,16-17,19H,7-12H2,1-6H3.
What are the key properties of N-ethyl-2,2-dimethyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine?
N-ethyl-2,2-dimethyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine has a molecular weight of 293.50 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine is sourced from PubChem (CID 64777204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).