3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine

C14H24N2 — CID 104737370

IUPAC3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)Cc1cccnc1
InChIInChI=1S/C14H24N2/c1-12(2)16-9-7-14(3,4)10-13-6-5-8-15-11-13/h5-6,8,11-12,16H,7,9-10H2,1-4H3
InChIKeyFHRQBFSGQXMXHK-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.04
Rot. Bonds6

About 3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine

3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine (PubChem CID 104737370) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine
PubChem CID104737370
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)Cc1cccnc1
InChIInChI=1S/C14H24N2/c1-12(2)16-9-7-14(3,4)10-13-6-5-8-15-11-13/h5-6,8,11-12,16H,7,9-10H2,1-4H3
InChIKeyFHRQBFSGQXMXHK-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chlorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81021801
4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81022084
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine
CID 81022087
2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 54973657
N-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206679
2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820
2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol
CID 81405139
4-pyridin-3-yl-3-(pyridin-3-ylmethyl)butane-1,3-diamine
CID 174709690
3,3-dimethyl-4-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine
CID 81021659
4-(3-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 102864418
N'-methyl-N-propan-2-yl-N'-pyridin-3-ylethane-1,2-diamine
CID 115206418

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine?
The IUPAC name of 3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine (CID 104737370) is 3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine is CC(C)NCCC(C)(C)Cc1cccnc1.
What is the InChIKey of 3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine?
The InChIKey is FHRQBFSGQXMXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12(2)16-9-7-14(3,4)10-13-6-5-8-15-11-13/h5-6,8,11-12,16H,7,9-10H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine?
3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine is sourced from PubChem (CID 104737370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).