N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

C16H29N3 — CID 79352384

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCC(C)(C)n1cc(CNCC2C(C)(C)C2(C)C)cn1
InChIInChI=1S/C16H29N3/c1-14(2,3)19-11-12(9-18-19)8-17-10-13-15(4,5)16(13,6)7/h9,11,13,17H,8,10H2,1-7H3
InChIKeyPAUIFWNLHFUEFA-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.41
Rot. Bonds4

About N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 79352384) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID79352384
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCC(C)(C)n1cc(CNCC2C(C)(C)C2(C)C)cn1
InChIInChI=1S/C16H29N3/c1-14(2,3)19-11-12(9-18-19)8-17-10-13-15(4,5)16(13,6)7/h9,11,13,17H,8,10H2,1-7H3
InChIKeyPAUIFWNLHFUEFA-UHFFFAOYSA-N
XLogP3.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine
CID 114104981
1-(1-tert-butylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 103753060
6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol
CID 103924056
1-(1-tert-butylpyrazol-4-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528628
N-[(1-tert-butylpyrazol-4-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923032
N-[(1-tert-butylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine
CID 43765327
5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide
CID 106234065
1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673286
N-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 115696513
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 60957310
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 64681132
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95610747

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 79352384) is N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is CC(C)(C)n1cc(CNCC2C(C)(C)C2(C)C)cn1.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is PAUIFWNLHFUEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-14(2,3)19-11-12(9-18-19)8-17-10-13-15(4,5)16(13,6)7/h9,11,13,17H,8,10H2,1-7H3.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 263.43 g/mol, XLogP of 3.41, 4 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]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 79352384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).