N-[3-(3,5-dimethylpyrazol-1-yl)propyl]spiro[4.5]decan-8-amine

C18H31N3 — CID 114817954

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]spiro[4.5]decan-8-amine
SMILESCc1cc(C)n(CCCNC2CCC3(CCCC3)CC2)n1
InChIInChI=1S/C18H31N3/c1-15-14-16(2)21(20-15)13-5-12-19-17-6-10-18(11-7-17)8-3-4-9-18/h14,17,19H,3-13H2,1-2H3
InChIKeyHQHFPDTZGWCTQK-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.98
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]spiro[4.5]decan-8-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]spiro[4.5]decan-8-amine (PubChem CID 114817954) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]spiro[4.5]decan-8-amine
PubChem CID114817954
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]spiro[4.5]decan-8-amine
SMILESCc1cc(C)n(CCCNC2CCC3(CCCC3)CC2)n1
InChIInChI=1S/C18H31N3/c1-15-14-16(2)21(20-15)13-5-12-19-17-6-10-18(11-7-17)8-3-4-9-18/h14,17,19H,3-13H2,1-2H3
InChIKeyHQHFPDTZGWCTQK-UHFFFAOYSA-N
XLogP3.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,1-dioxothian-4-amine
CID 114536309
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine
CID 114536325
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,1-dioxothiolan-3-amine
CID 113220131
1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclobutane-1,3-diamine
CID 114536377
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylcyclohexan-1-amine
CID 115651483
2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine
CID 115572685
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,3,5-trimethylcyclohexan-1-amine
CID 115572657
2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 115574328
1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 113233160
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536339
1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19575124
2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 114536382

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]spiro[4.5]decan-8-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]spiro[4.5]decan-8-amine (CID 114817954) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]spiro[4.5]decan-8-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]spiro[4.5]decan-8-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]spiro[4.5]decan-8-amine is Cc1cc(C)n(CCCNC2CCC3(CCCC3)CC2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]spiro[4.5]decan-8-amine?
The InChIKey is HQHFPDTZGWCTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-15-14-16(2)21(20-15)13-5-12-19-17-6-10-18(11-7-17)8-3-4-9-18/h14,17,19H,3-13H2,1-2H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]spiro[4.5]decan-8-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]spiro[4.5]decan-8-amine has a molecular weight of 289.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]spiro[4.5]decan-8-amine is sourced from PubChem (CID 114817954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).