5-chloro-N,N-bis(2-methylpropyl)-6-(propylaminomethyl)pyridin-2-amine

C17H30ClN3 — CID 63490142

IUPAC5-chloro-N,N-bis(2-methylpropyl)-6-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1nc(N(CC(C)C)CC(C)C)ccc1Cl
InChIInChI=1S/C17H30ClN3/c1-6-9-19-10-16-15(18)7-8-17(20-16)21(11-13(2)3)12-14(4)5/h7-8,13-14,19H,6,9-12H2,1-5H3
InChIKeyBODQJGHERUPRIJ-UHFFFAOYSA-N
MW311.90 g/mol
LogP4.35
Rot. Bonds9

About 5-chloro-N,N-bis(2-methylpropyl)-6-(propylaminomethyl)pyridin-2-amine

5-chloro-N,N-bis(2-methylpropyl)-6-(propylaminomethyl)pyridin-2-amine (PubChem CID 63490142) has the molecular formula C17H30ClN3 and a molecular weight of 311.90 g/mol. Its IUPAC name is 5-chloro-N,N-bis(2-methylpropyl)-6-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N,N-bis(2-methylpropyl)-6-(propylaminomethyl)pyridin-2-amine
PubChem CID63490142
Molecular FormulaC17H30ClN3
Molecular Weight311.90 g/mol
Exact Mass311.21
IUPAC Name5-chloro-N,N-bis(2-methylpropyl)-6-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1nc(N(CC(C)C)CC(C)C)ccc1Cl
InChIInChI=1S/C17H30ClN3/c1-6-9-19-10-16-15(18)7-8-17(20-16)21(11-13(2)3)12-14(4)5/h7-8,13-14,19H,6,9-12H2,1-5H3
InChIKeyBODQJGHERUPRIJ-UHFFFAOYSA-N
XLogP4.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-N,N-bis(2-methylpropyl)-6-(propylaminomethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62280243
N-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine
CID 55054566
5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62280062
5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine
CID 63489453
5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(2-ethylbutyl)pyridin-2-amine
CID 63489637
N,N-dibutyl-5-chloro-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 63489625
5-chloro-6-(ethylaminomethyl)-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 62282594
5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62279898
5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
CID 63024811
5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine
CID 114925412
3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine
CID 63490143
5-chloro-6-(ethylaminomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 62283603

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-bis(2-methylpropyl)-6-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N,N-bis(2-methylpropyl)-6-(propylaminomethyl)pyridin-2-amine (CID 63490142) is 5-chloro-N,N-bis(2-methylpropyl)-6-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N,N-bis(2-methylpropyl)-6-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N,N-bis(2-methylpropyl)-6-(propylaminomethyl)pyridin-2-amine is CCCNCc1nc(N(CC(C)C)CC(C)C)ccc1Cl.
What is the InChIKey of 5-chloro-N,N-bis(2-methylpropyl)-6-(propylaminomethyl)pyridin-2-amine?
The InChIKey is BODQJGHERUPRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClN3/c1-6-9-19-10-16-15(18)7-8-17(20-16)21(11-13(2)3)12-14(4)5/h7-8,13-14,19H,6,9-12H2,1-5H3.
What are the key properties of 5-chloro-N,N-bis(2-methylpropyl)-6-(propylaminomethyl)pyridin-2-amine?
5-chloro-N,N-bis(2-methylpropyl)-6-(propylaminomethyl)pyridin-2-amine has a molecular weight of 311.90 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-bis(2-methylpropyl)-6-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 63490142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).