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

C18H33N3 — CID 80636831

IUPACN-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCCN(c1ncc(CNCCC)cc1C)C(C)CC
InChIInChI=1S/C18H33N3/c1-6-9-11-21(16(5)8-3)18-15(4)12-17(14-20-18)13-19-10-7-2/h12,14,16,19H,6-11,13H2,1-5H3
InChIKeyGPMBCJICMATVFY-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.29
Rot. Bonds10

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

N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine (PubChem CID 80636831) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
PubChem CID80636831
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCCN(c1ncc(CNCCC)cc1C)C(C)CC
InChIInChI=1S/C18H33N3/c1-6-9-11-21(16(5)8-3)18-15(4)12-17(14-20-18)13-19-10-7-2/h12,14,16,19H,6-11,13H2,1-5H3
InChIKeyGPMBCJICMATVFY-UHFFFAOYSA-N
XLogP4.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.29
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-5-[(cyclopropylamino)methyl]-3-methylpyridin-2-amine
CID 80632919
N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine
CID 80630535
N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80629872
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
2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol
CID 80629864
N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631971
2-methyl-1-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propan-2-ol
CID 80635329
N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine
CID 80628897
N,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 80636506
N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 80629582
N,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide
CID 106916830

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine (CID 80636831) is N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine is CCCCN(c1ncc(CNCCC)cc1C)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine?
The InChIKey is GPMBCJICMATVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-9-11-21(16(5)8-3)18-15(4)12-17(14-20-18)13-19-10-7-2/h12,14,16,19H,6-11,13H2,1-5H3.
What are the key properties of N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine?
N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 80636831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).