5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine

C15H24ClN3 — CID 114926307

IUPAC5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(N(C)CC2CCC2)ncc1Cl
InChIInChI=1S/C15H24ClN3/c1-3-7-17-9-13-8-15(18-10-14(13)16)19(2)11-12-5-4-6-12/h8,10,12,17H,3-7,9,11H2,1-2H3
InChIKeyOXMZQDQKMWACPE-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.47
Rot. Bonds7

About 5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine

5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine (PubChem CID 114926307) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine
PubChem CID114926307
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(N(C)CC2CCC2)ncc1Cl
InChIInChI=1S/C15H24ClN3/c1-3-7-17-9-13-8-15(18-10-14(13)16)19(2)11-12-5-4-6-12/h8,10,12,17H,3-7,9,11H2,1-2H3
InChIKeyOXMZQDQKMWACPE-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.47
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-(cyclopentylmethyl)-4-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 114926476
[5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol
CID 114920404
5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 114926517
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114926513
5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 107401902
4-[(tert-butylamino)methyl]-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107401854
5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine
CID 114925867
5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine
CID 114926916
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 114925898
N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine
CID 114925296
N-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine
CID 114926315
5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine
CID 114925412

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine (CID 114926307) is 5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine is CCCNCc1cc(N(C)CC2CCC2)ncc1Cl.
What is the InChIKey of 5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine?
The InChIKey is OXMZQDQKMWACPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-3-7-17-9-13-8-15(18-10-14(13)16)19(2)11-12-5-4-6-12/h8,10,12,17H,3-7,9,11H2,1-2H3.
What are the key properties of 5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine?
5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine has a molecular weight of 281.83 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 114926307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).