N-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine

C18H33N3 — CID 102915345

IUPACN-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1ccc(NCC(C(C)C)C(C)C)nc1
InChIInChI=1S/C18H33N3/c1-13(2)9-19-10-16-7-8-18(20-11-16)21-12-17(14(3)4)15(5)6/h7-8,11,13-15,17,19H,9-10,12H2,1-6H3,(H,20,21)
InChIKeyINSQDIOGKCDRMH-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.17
Rot. Bonds9

About N-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine

N-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 102915345) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID102915345
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1ccc(NCC(C(C)C)C(C)C)nc1
InChIInChI=1S/C18H33N3/c1-13(2)9-19-10-16-7-8-18(20-11-16)21-12-17(14(3)4)15(5)6/h7-8,11,13-15,17,19H,9-10,12H2,1-6H3,(H,20,21)
InChIKeyINSQDIOGKCDRMH-UHFFFAOYSA-N
XLogP4.17
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102915278
2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine
CID 80639485
N-(2,2-dimethylpropyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62287062
N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 80639372
2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine
CID 102908730
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol
CID 107772150
N-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82006767
N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296432
N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102914055
N-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62757153
2-methyl-N-[[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine
CID 66371207

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 102915345) is N-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine is CC(C)CNCc1ccc(NCC(C(C)C)C(C)C)nc1.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is INSQDIOGKCDRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-13(2)9-19-10-16-7-8-18(20-11-16)21-12-17(14(3)4)15(5)6/h7-8,11,13-15,17,19H,9-10,12H2,1-6H3,(H,20,21).
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
N-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 102915345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).