N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine

C18H33N3 — CID 80631971

IUPACN,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCCCN(CCCC)c1ncc(CNC(C)C)cc1C
InChIInChI=1S/C18H33N3/c1-6-8-10-21(11-9-7-2)18-16(5)12-17(14-20-18)13-19-15(3)4/h12,14-15,19H,6-11,13H2,1-5H3
InChIKeyRJRZNHMAOJQUQQ-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.29
Rot. Bonds10

About N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine

N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 80631971) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID80631971
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCCCN(CCCC)c1ncc(CNC(C)C)cc1C
InChIInChI=1S/C18H33N3/c1-6-8-10-21(11-9-7-2)18-16(5)12-17(14-20-18)13-19-15(3)4/h12,14-15,19H,6-11,13H2,1-5H3
InChIKeyRJRZNHMAOJQUQQ-UHFFFAOYSA-N
XLogP4.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-ethylbutyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80632647
5-(aminomethyl)-N,N-dibutyl-3-methylpyridin-2-amine
CID 80629812
N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631433
N-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62285650
2-[ethyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]acetamide
CID 103103251
5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine
CID 80638929
N,3-dimethyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80635331
N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine
CID 80628897
N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80636831
N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine
CID 80629655
2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol
CID 80629864
2-[cyclopentyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol
CID 80632565

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 80631971) is N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine is CCCCN(CCCC)c1ncc(CNC(C)C)cc1C.
What is the InChIKey of N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is RJRZNHMAOJQUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-8-10-21(11-9-7-2)18-16(5)12-17(14-20-18)13-19-15(3)4/h12,14-15,19H,6-11,13H2,1-5H3.
What are the key properties of N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 80631971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).