N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine

C16H27N3O — CID 83032808

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NCc2ccn(C3CCCC3)n2)CCO1
InChIInChI=1S/C16H27N3O/c1-16(2)11-13(8-10-20-16)17-12-14-7-9-19(18-14)15-5-3-4-6-15/h7,9,13,15,17H,3-6,8,10-12H2,1-2H3
InChIKeyOOJQMZNAIOVPNT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.05
Rot. Bonds4

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine (PubChem CID 83032808) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine
PubChem CID83032808
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NCc2ccn(C3CCCC3)n2)CCO1
InChIInChI=1S/C16H27N3O/c1-16(2)11-13(8-10-20-16)17-12-14-7-9-19(18-14)15-5-3-4-6-15/h7,9,13,15,17H,3-6,8,10-12H2,1-2H3
InChIKeyOOJQMZNAIOVPNT-UHFFFAOYSA-N
XLogP3.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114546024
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358924
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359218
N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine
CID 107137702
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 114631935
2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
CID 115563730
N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81434408
N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine
CID 64799126
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64800246
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,1-dioxothian-3-amine
CID 64799368
2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65025723
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626027

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine (CID 83032808) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine is CC1(C)CC(NCc2ccn(C3CCCC3)n2)CCO1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine?
The InChIKey is OOJQMZNAIOVPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-16(2)11-13(8-10-20-16)17-12-14-7-9-19(18-14)15-5-3-4-6-15/h7,9,13,15,17H,3-6,8,10-12H2,1-2H3.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 83032808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).