3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine

C17H23N3 — CID 62758422

IUPAC3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
SMILESCC(C)(C)CC(NCc1cncnc1)c1ccccc1
InChIInChI=1S/C17H23N3/c1-17(2,3)9-16(15-7-5-4-6-8-15)20-12-14-10-18-13-19-11-14/h4-8,10-11,13,16,20H,9,12H2,1-3H3
InChIKeyZNNSOPQJUXOPHV-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.74
Rot. Bonds5

About 3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine

3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine (PubChem CID 62758422) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
PubChem CID62758422
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
SMILESCC(C)(C)CC(NCc1cncnc1)c1ccccc1
InChIInChI=1S/C17H23N3/c1-17(2,3)9-16(15-7-5-4-6-8-15)20-12-14-10-18-13-19-11-14/h4-8,10-11,13,16,20H,9,12H2,1-3H3
InChIKeyZNNSOPQJUXOPHV-UHFFFAOYSA-N
XLogP3.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 62759378
3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 55109666
(1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 78950279
N-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 63001796
N-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740426
3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 61168873
3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1-phenylbutan-1-amine
CID 62133141
N-[(5-chlorofuran-2-yl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 60780951
N-[(4-bromothiophen-2-yl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740502
(3,3-dimethyl-1-pyrimidin-5-ylbutyl)hydrazine
CID 105220229
3,3-dimethyl-1-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butan-1-amine
CID 64545600
4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol
CID 103921676

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine (CID 62758422) is 3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine is CC(C)(C)CC(NCc1cncnc1)c1ccccc1.
What is the InChIKey of 3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine?
The InChIKey is ZNNSOPQJUXOPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(2,3)9-16(15-7-5-4-6-8-15)20-12-14-10-18-13-19-11-14/h4-8,10-11,13,16,20H,9,12H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine?
3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine is sourced from PubChem (CID 62758422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).