2,2-dimethyl-N-(2-methylpropyl)-3-(4-phenylpyrazol-1-yl)propan-1-amine

C18H27N3 — CID 79619961

IUPAC2,2-dimethyl-N-(2-methylpropyl)-3-(4-phenylpyrazol-1-yl)propan-1-amine
SMILESCC(C)CNCC(C)(C)Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C18H27N3/c1-15(2)10-19-13-18(3,4)14-21-12-17(11-20-21)16-8-6-5-7-9-16/h5-9,11-12,15,19H,10,13-14H2,1-4H3
InChIKeyHIKWWHCRVDHXRP-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.82
Rot. Bonds7

About 2,2-dimethyl-N-(2-methylpropyl)-3-(4-phenylpyrazol-1-yl)propan-1-amine

2,2-dimethyl-N-(2-methylpropyl)-3-(4-phenylpyrazol-1-yl)propan-1-amine (PubChem CID 79619961) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylpropyl)-3-(4-phenylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylpropyl)-3-(4-phenylpyrazol-1-yl)propan-1-amine
PubChem CID79619961
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2,2-dimethyl-N-(2-methylpropyl)-3-(4-phenylpyrazol-1-yl)propan-1-amine
SMILESCC(C)CNCC(C)(C)Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C18H27N3/c1-15(2)10-19-13-18(3,4)14-21-12-17(11-20-21)16-8-6-5-7-9-16/h5-9,11-12,15,19H,10,13-14H2,1-4H3
InChIKeyHIKWWHCRVDHXRP-UHFFFAOYSA-N
XLogP3.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 54567
CID 54567
CID 3546441
CID 3546441
CID 11126737
CID 11126737
CID 2986538
CID 2986538
CID 2759980
CID 2759980
CID 7131412
CID 7131412
CID 3794579
CID 3794579
CID 13692442
CID 13692442
CID 16188219
CID 16188219
CID 45227951
CID 45227951
CID 50981214
CID 50981214
CID 56861411
CID 56861411

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-3-(4-phenylpyrazol-1-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-3-(4-phenylpyrazol-1-yl)propan-1-amine (CID 79619961) is 2,2-dimethyl-N-(2-methylpropyl)-3-(4-phenylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylpropyl)-3-(4-phenylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methylpropyl)-3-(4-phenylpyrazol-1-yl)propan-1-amine is CC(C)CNCC(C)(C)Cn1cc(-c2ccccc2)cn1.
What is the InChIKey of 2,2-dimethyl-N-(2-methylpropyl)-3-(4-phenylpyrazol-1-yl)propan-1-amine?
The InChIKey is HIKWWHCRVDHXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-15(2)10-19-13-18(3,4)14-21-12-17(11-20-21)16-8-6-5-7-9-16/h5-9,11-12,15,19H,10,13-14H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(2-methylpropyl)-3-(4-phenylpyrazol-1-yl)propan-1-amine?
2,2-dimethyl-N-(2-methylpropyl)-3-(4-phenylpyrazol-1-yl)propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylpropyl)-3-(4-phenylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 79619961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).