N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine

C17H29N3 — CID 80629872

IUPACN-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCCN(c1ncc(CNCCC)cc1C)C1CC1
InChIInChI=1S/C17H29N3/c1-4-6-10-20(16-7-8-16)17-14(3)11-15(13-19-17)12-18-9-5-2/h11,13,16,18H,4-10,12H2,1-3H3
InChIKeyHFDHFIUAWKIJOP-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.66
Rot. Bonds9

About N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine

N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine (PubChem CID 80629872) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
PubChem CID80629872
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCCN(c1ncc(CNCCC)cc1C)C1CC1
InChIInChI=1S/C17H29N3/c1-4-6-10-20(16-7-8-16)17-14(3)11-15(13-19-17)12-18-9-5-2/h11,13,16,18H,4-10,12H2,1-3H3
InChIKeyHFDHFIUAWKIJOP-UHFFFAOYSA-N
XLogP3.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80636831
N-cyclopropyl-5-[(cyclopropylamino)methyl]-3-methyl-N-propylpyridin-2-amine
CID 80630811
N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine
CID 80629655
N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine
CID 80635878
N-cyclopropyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 113388041
2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol
CID 80629864
N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine
CID 80628897
N,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine
CID 80631876
N,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 80636506
N-cyclopentyl-5-(ethylaminomethyl)-3-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 80638803
2-[cyclopentyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol
CID 80632565
N-cyclopropyl-N-ethyl-5-(propylaminomethyl)pyridin-2-amine
CID 62279551

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine (CID 80629872) is N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine is CCCCN(c1ncc(CNCCC)cc1C)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine?
The InChIKey is HFDHFIUAWKIJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-6-10-20(16-7-8-16)17-14(3)11-15(13-19-17)12-18-9-5-2/h11,13,16,18H,4-10,12H2,1-3H3.
What are the key properties of N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine?
N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 80629872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).