6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-(propylaminomethyl)pyridin-2-amine

C18H33N3 — CID 102915337

IUPAC6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(C)nc(NCC(C(C)C)C(C)C)c1
InChIInChI=1S/C18H33N3/c1-7-8-19-11-16-9-15(6)21-18(10-16)20-12-17(13(2)3)14(4)5/h9-10,13-14,17,19H,7-8,11-12H2,1-6H3,(H,20,21)
InChIKeyYXWDAJCLYODBOI-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.23
Rot. Bonds9

About 6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-(propylaminomethyl)pyridin-2-amine

6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-(propylaminomethyl)pyridin-2-amine (PubChem CID 102915337) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-(propylaminomethyl)pyridin-2-amine
PubChem CID102915337
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(C)nc(NCC(C(C)C)C(C)C)c1
InChIInChI=1S/C18H33N3/c1-7-8-19-11-16-9-15(6)21-18(10-16)20-12-17(13(2)3)14(4)5/h9-10,13-14,17,19H,7-8,11-12H2,1-6H3,(H,20,21)
InChIKeyYXWDAJCLYODBOI-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxypropyl)-6-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 102700801
6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine
CID 102908872
N-[(2-butan-2-yloxy-6-methyl-4-pyridinyl)methyl]propan-1-amine
CID 113379516
6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102907365
N-[[2-methyl-6-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114539964
N,6-dimethyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine
CID 113379417
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
3-chloro-5-(ethylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102915300
4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 113478373
N-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 102915345
5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 102908907
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]propan-1-amine
CID 43276745

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of 6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-(propylaminomethyl)pyridin-2-amine (CID 102915337) is 6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for 6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-(propylaminomethyl)pyridin-2-amine is CCCNCc1cc(C)nc(NCC(C(C)C)C(C)C)c1.
What is the InChIKey of 6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-(propylaminomethyl)pyridin-2-amine?
The InChIKey is YXWDAJCLYODBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-7-8-19-11-16-9-15(6)21-18(10-16)20-12-17(13(2)3)14(4)5/h9-10,13-14,17,19H,7-8,11-12H2,1-6H3,(H,20,21).
What are the key properties of 6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-(propylaminomethyl)pyridin-2-amine?
6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-(propylaminomethyl)pyridin-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 102915337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).