N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine

C14H27N3 — CID 62449266

IUPACN-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine
SMILESCc1cc(C)n(CCCCCNC(C)(C)C)n1
InChIInChI=1S/C14H27N3/c1-12-11-13(2)17(16-12)10-8-6-7-9-15-14(3,4)5/h11,15H,6-10H2,1-5H3
InChIKeyHEYWKLRFPHQHBX-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.06
Rot. Bonds6

About N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine

N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine (PubChem CID 62449266) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine
PubChem CID62449266
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine
SMILESCc1cc(C)n(CCCCCNC(C)(C)C)n1
InChIInChI=1S/C14H27N3/c1-12-11-13(2)17(16-12)10-8-6-7-9-15-14(3,4)5/h11,15H,6-10H2,1-5H3
InChIKeyHEYWKLRFPHQHBX-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.06
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]octan-1-amine
CID 115573303
1-(6-chlorohexyl)-3,5-dimethylpyrazole
CID 62227990
N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114541567
N-tert-butyl-5-(2,5-dimethylpyrazol-3-yl)oxypentan-1-amine
CID 81346395
2-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 86816276
3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine
CID 115574431
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzoic acid
CID 114537305
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,3-dimethylbutanamide
CID 115750968
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 115737982
3,5-dimethyl-1-(4,4,4-trifluorobutyl)pyrazole
CID 115518541
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine
CID 122626197

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine?
The IUPAC name of N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine (CID 62449266) is N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine is Cc1cc(C)n(CCCCCNC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine?
The InChIKey is HEYWKLRFPHQHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-12-11-13(2)17(16-12)10-8-6-7-9-15-14(3,4)5/h11,15H,6-10H2,1-5H3.
What are the key properties of N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine?
N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine is sourced from PubChem (CID 62449266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).