2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]heptan-1-amine

C15H29N3 — CID 103001701

IUPAC2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]heptan-1-amine
SMILESCCCCCC(C)(C)CNCCc1cnn(C)c1
InChIInChI=1S/C15H29N3/c1-5-6-7-9-15(2,3)13-16-10-8-14-11-17-18(4)12-14/h11-12,16H,5-10,13H2,1-4H3
InChIKeyRTJMYQOBTUYKSM-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.16
Rot. Bonds9

About 2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]heptan-1-amine

2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]heptan-1-amine (PubChem CID 103001701) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]heptan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]heptan-1-amine
PubChem CID103001701
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]heptan-1-amine
SMILESCCCCCC(C)(C)CNCCc1cnn(C)c1
InChIInChI=1S/C15H29N3/c1-5-6-7-9-15(2,3)13-16-10-8-14-11-17-18(4)12-14/h11-12,16H,5-10,13H2,1-4H3
InChIKeyRTJMYQOBTUYKSM-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.16
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

4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 106255495
2,2-dimethyl-N-[4-(1-methylpyrazol-4-yl)butyl]propan-1-amine;hydrochloride
CID 115610520
N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014439
2-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propylbutan-1-amine
CID 62726284
2,2-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanenitrile
CID 80688978
3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 103002222
3-methyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 106175780
6-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]hexan-1-amine
CID 107844230
1-hexoxy-3-[2-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol
CID 80688585
1-methyl-4-propylpyrazole;propane
CID 155742221
2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-propyloctan-1-amine
CID 63522518

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]heptan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]heptan-1-amine (CID 103001701) is 2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]heptan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]heptan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]heptan-1-amine is CCCCCC(C)(C)CNCCc1cnn(C)c1.
What is the InChIKey of 2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]heptan-1-amine?
The InChIKey is RTJMYQOBTUYKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-6-7-9-15(2,3)13-16-10-8-14-11-17-18(4)12-14/h11-12,16H,5-10,13H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]heptan-1-amine?
2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]heptan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.16, 9 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-(1-methylpyrazol-4-yl)ethyl]heptan-1-amine is sourced from PubChem (CID 103001701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).