N-[(1-tert-butylpyrazol-4-yl)methyl]-6-methylheptan-2-amine

C16H31N3 — CID 43769272

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C16H31N3/c1-13(2)8-7-9-14(3)17-10-15-11-18-19(12-15)16(4,5)6/h11-14,17H,7-10H2,1-6H3
InChIKeyUOJSYIWOXYCABN-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.94
Rot. Bonds7

About N-[(1-tert-butylpyrazol-4-yl)methyl]-6-methylheptan-2-amine

N-[(1-tert-butylpyrazol-4-yl)methyl]-6-methylheptan-2-amine (PubChem CID 43769272) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]-6-methylheptan-2-amine.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]-6-methylheptan-2-amine
PubChem CID43769272
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C16H31N3/c1-13(2)8-7-9-14(3)17-10-15-11-18-19(12-15)16(4,5)6/h11-14,17H,7-10H2,1-6H3
InChIKeyUOJSYIWOXYCABN-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-tert-butylpyrazol-4-yl)methyl]heptan-2-amine
CID 43778077
N-[(1-tert-butylpyrazol-4-yl)methyl]pentan-2-amine
CID 43757996
N-[(1-tert-butylpyrazol-4-yl)methyl]pent-4-yn-2-amine
CID 115660312
N-[(1-tert-butylpyrazol-4-yl)methyl]-4-methylsulfinylbutan-2-amine
CID 115688222
N-[(1-tert-butylpyrazol-4-yl)methyl]but-3-en-2-amine
CID 115691049
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)propan-2-amine
CID 43779764
2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 61247444
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946182
(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 81402195
(1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78978020
2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid
CID 65289043
2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide
CID 43778264

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-6-methylheptan-2-amine?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-6-methylheptan-2-amine (CID 43769272) is N-[(1-tert-butylpyrazol-4-yl)methyl]-6-methylheptan-2-amine.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]-6-methylheptan-2-amine?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]-6-methylheptan-2-amine is CC(C)CCCC(C)NCc1cnn(C(C)(C)C)c1.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]-6-methylheptan-2-amine?
The InChIKey is UOJSYIWOXYCABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-13(2)8-7-9-14(3)17-10-15-11-18-19(12-15)16(4,5)6/h11-14,17H,7-10H2,1-6H3.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]-6-methylheptan-2-amine?
N-[(1-tert-butylpyrazol-4-yl)methyl]-6-methylheptan-2-amine has a molecular weight of 265.44 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrazol-4-yl)methyl]-6-methylheptan-2-amine is sourced from PubChem (CID 43769272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).