3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine

C18H24N2 — CID 60697579

IUPAC3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine
SMILESCC(C)(C)CCNC(c1ccccc1)c1ccncc1
InChIInChI=1S/C18H24N2/c1-18(2,3)11-14-20-17(15-7-5-4-6-8-15)16-9-12-19-13-10-16/h4-10,12-13,17,20H,11,14H2,1-3H3
InChIKeyMLNQYVCORPXCHZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.20
Rot. Bonds5

About 3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine

3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine (PubChem CID 60697579) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine
PubChem CID60697579
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine
SMILESCC(C)(C)CCNC(c1ccccc1)c1ccncc1
InChIInChI=1S/C18H24N2/c1-18(2,3)11-14-20-17(15-7-5-4-6-8-15)16-9-12-19-13-10-16/h4-10,12-13,17,20H,11,14H2,1-3H3
InChIKeyMLNQYVCORPXCHZ-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-[(R)-phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 7097979
N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244
3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride
CID 45074849
3-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine
CID 115971802
2,2-dimethyl-3-[[phenyl(pyridin-4-yl)methyl]amino]propanoic acid
CID 79621337
3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 7273099
(2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 113357070
1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 43608190
N-benzhydryl-N'-tert-butylethane-1,2-diamine
CID 107444623
(1R)-2-[[(R)-phenyl(pyridin-4-yl)methyl]amino]-1-pyridin-4-ylethanol
CID 99852293
2-(3,3-dimethylbutylamino)-2-phenylacetic acid
CID 62108848
N-[phenyl(pyridin-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 63242524

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine (CID 60697579) is 3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine is CC(C)(C)CCNC(c1ccccc1)c1ccncc1.
What is the InChIKey of 3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine?
The InChIKey is MLNQYVCORPXCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-18(2,3)11-14-20-17(15-7-5-4-6-8-15)16-9-12-19-13-10-16/h4-10,12-13,17,20H,11,14H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine?
3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 60697579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).