N-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine

C15H25N3 — CID 79041986

IUPACN-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2cccnc2C)CC1
InChIInChI=1S/C15H25N3/c1-3-10-18-11-5-6-14(8-12-18)17-15-7-4-9-16-13(15)2/h4,7,9,14,17H,3,5-6,8,10-12H2,1-2H3
InChIKeyVNJUYDDVKNTGSB-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.07
Rot. Bonds4

About N-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine

N-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine (PubChem CID 79041986) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine
PubChem CID79041986
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2cccnc2C)CC1
InChIInChI=1S/C15H25N3/c1-3-10-18-11-5-6-14(8-12-18)17-15-7-4-9-16-13(15)2/h4,7,9,14,17H,3,5-6,8,10-12H2,1-2H3
InChIKeyVNJUYDDVKNTGSB-UHFFFAOYSA-N
XLogP3.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine?
The IUPAC name of N-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine (CID 79041986) is N-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine?
The canonical SMILES for N-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine is CCCN1CCCC(Nc2cccnc2C)CC1.
What is the InChIKey of N-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine?
The InChIKey is VNJUYDDVKNTGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-10-18-11-5-6-14(8-12-18)17-15-7-4-9-16-13(15)2/h4,7,9,14,17H,3,5-6,8,10-12H2,1-2H3.
What are the key properties of N-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine?
N-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine has a molecular weight of 247.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine is sourced from PubChem (CID 79041986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).