5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine

C15H26ClN3 — CID 114925412

IUPAC5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(N(CC)CC(C)C)ncc1Cl
InChIInChI=1S/C15H26ClN3/c1-5-7-17-9-13-8-15(18-10-14(13)16)19(6-2)11-12(3)4/h8,10,12,17H,5-7,9,11H2,1-4H3
InChIKeySGWVCRJBGUAWGR-UHFFFAOYSA-N
MW283.85 g/mol
LogP3.72
Rot. Bonds8

About 5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine

5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine (PubChem CID 114925412) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine
PubChem CID114925412
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC Name5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(N(CC)CC(C)C)ncc1Cl
InChIInChI=1S/C15H26ClN3/c1-5-7-17-9-13-8-15(18-10-14(13)16)19(6-2)11-12(3)4/h8,10,12,17H,5-7,9,11H2,1-4H3
InChIKeySGWVCRJBGUAWGR-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 53.72
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

5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925419
N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine
CID 114925296
3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine
CID 63490143
5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925371
N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine
CID 114927711
5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine
CID 114926894
N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114925738
5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 114926307
5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 114925130
N-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine
CID 55055011
5-chloro-N-methyl-4-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 114925131
5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine
CID 114926916

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine (CID 114925412) is 5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine is CCCNCc1cc(N(CC)CC(C)C)ncc1Cl.
What is the InChIKey of 5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine?
The InChIKey is SGWVCRJBGUAWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-5-7-17-9-13-8-15(18-10-14(13)16)19(6-2)11-12(3)4/h8,10,12,17H,5-7,9,11H2,1-4H3.
What are the key properties of 5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine?
5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine has a molecular weight of 283.85 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 114925412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).