5-[(cyclopropylamino)methyl]-6-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine

C18H31N3 — CID 102915282

IUPAC5-[(cyclopropylamino)methyl]-6-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
SMILESCc1nc(NCC(C(C)C)C(C)C)ccc1CNC1CC1
InChIInChI=1S/C18H31N3/c1-12(2)17(13(3)4)11-20-18-9-6-15(14(5)21-18)10-19-16-7-8-16/h6,9,12-13,16-17,19H,7-8,10-11H2,1-5H3,(H,20,21)
InChIKeyFYXQOSGKCYVPPF-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.98
Rot. Bonds8

About 5-[(cyclopropylamino)methyl]-6-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine

5-[(cyclopropylamino)methyl]-6-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine (PubChem CID 102915282) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-6-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-6-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
PubChem CID102915282
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name5-[(cyclopropylamino)methyl]-6-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
SMILESCc1nc(NCC(C(C)C)C(C)C)ccc1CNC1CC1
InChIInChI=1S/C18H31N3/c1-12(2)17(13(3)4)11-20-18-9-6-15(14(5)21-18)10-19-16-7-8-16/h6,9,12-13,16-17,19H,7-8,10-11H2,1-5H3,(H,20,21)
InChIKeyFYXQOSGKCYVPPF-UHFFFAOYSA-N
XLogP3.98
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-6-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-6-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine (CID 102915282) is 5-[(cyclopropylamino)methyl]-6-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-6-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-6-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine is Cc1nc(NCC(C(C)C)C(C)C)ccc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-6-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The InChIKey is FYXQOSGKCYVPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-12(2)17(13(3)4)11-20-18-9-6-15(14(5)21-18)10-19-16-7-8-16/h6,9,12-13,16-17,19H,7-8,10-11H2,1-5H3,(H,20,21).
What are the key properties of 5-[(cyclopropylamino)methyl]-6-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
5-[(cyclopropylamino)methyl]-6-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine has a molecular weight of 289.47 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-6-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine is sourced from PubChem (CID 102915282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).