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

C17H29N3 — CID 102915278

IUPAC5-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
SMILESCC(C)C(CNc1ccc(CNC2CC2)cn1)C(C)C
InChIInChI=1S/C17H29N3/c1-12(2)16(13(3)4)11-20-17-8-5-14(10-19-17)9-18-15-6-7-15/h5,8,10,12-13,15-16,18H,6-7,9,11H2,1-4H3,(H,19,20)
InChIKeyVGVCFZPTHIUMQQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.67
Rot. Bonds8

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

5-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine (PubChem CID 102915278) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
PubChem CID102915278
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name5-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
SMILESCC(C)C(CNc1ccc(CNC2CC2)cn1)C(C)C
InChIInChI=1S/C17H29N3/c1-12(2)16(13(3)4)11-20-17-8-5-14(10-19-17)9-18-15-6-7-15/h5,8,10,12-13,15-16,18H,6-7,9,11H2,1-4H3,(H,19,20)
InChIKeyVGVCFZPTHIUMQQ-UHFFFAOYSA-N
XLogP3.67
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine (CID 102915278) is 5-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine is CC(C)C(CNc1ccc(CNC2CC2)cn1)C(C)C.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The InChIKey is VGVCFZPTHIUMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-12(2)16(13(3)4)11-20-17-8-5-14(10-19-17)9-18-15-6-7-15/h5,8,10,12-13,15-16,18H,6-7,9,11H2,1-4H3,(H,19,20).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
5-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine is sourced from PubChem (CID 102915278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).