N,N-dibutyl-5-chloro-6-[(propan-2-ylamino)methyl]pyridin-2-amine

C17H30ClN3 — CID 63489625

IUPACN,N-dibutyl-5-chloro-6-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCCCN(CCCC)c1ccc(Cl)c(CNC(C)C)n1
InChIInChI=1S/C17H30ClN3/c1-5-7-11-21(12-8-6-2)17-10-9-15(18)16(20-17)13-19-14(3)4/h9-10,14,19H,5-8,11-13H2,1-4H3
InChIKeyRXRWVCJXVZUHBA-UHFFFAOYSA-N
MW311.90 g/mol
LogP4.64
Rot. Bonds10

About N,N-dibutyl-5-chloro-6-[(propan-2-ylamino)methyl]pyridin-2-amine

N,N-dibutyl-5-chloro-6-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 63489625) has the molecular formula C17H30ClN3 and a molecular weight of 311.90 g/mol. Its IUPAC name is N,N-dibutyl-5-chloro-6-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dibutyl-5-chloro-6-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID63489625
Molecular FormulaC17H30ClN3
Molecular Weight311.90 g/mol
Exact Mass311.21
IUPAC NameN,N-dibutyl-5-chloro-6-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCCCN(CCCC)c1ccc(Cl)c(CNC(C)C)n1
InChIInChI=1S/C17H30ClN3/c1-5-7-11-21(12-8-6-2)17-10-9-15(18)16(20-17)13-19-14(3)4/h9-10,14,19H,5-8,11-13H2,1-4H3
InChIKeyRXRWVCJXVZUHBA-UHFFFAOYSA-N
XLogP4.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dibutyl-5-chloro-6-[(propan-2-ylamino)methyl]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-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62280062
5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine
CID 63489453
N-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine
CID 55054566
5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62279898
5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62288309
N-butyl-5-chloro-N-methyl-6-(methylaminomethyl)pyridin-2-amine
CID 62285649
5-chloro-N,N-bis(2-methylpropyl)-6-(propylaminomethyl)pyridin-2-amine
CID 63490142
N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997409
N-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine
CID 55197665
N,N-dibutyl-3-chloro-2-[(propan-2-ylamino)methyl]aniline
CID 43281508
N-butyl-5-chloro-6-(methylaminomethyl)-N-phenylpyridin-2-amine
CID 64586601
5-chloro-N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62283930

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-5-chloro-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N,N-dibutyl-5-chloro-6-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 63489625) is N,N-dibutyl-5-chloro-6-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N,N-dibutyl-5-chloro-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N,N-dibutyl-5-chloro-6-[(propan-2-ylamino)methyl]pyridin-2-amine is CCCCN(CCCC)c1ccc(Cl)c(CNC(C)C)n1.
What is the InChIKey of N,N-dibutyl-5-chloro-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is RXRWVCJXVZUHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClN3/c1-5-7-11-21(12-8-6-2)17-10-9-15(18)16(20-17)13-19-14(3)4/h9-10,14,19H,5-8,11-13H2,1-4H3.
What are the key properties of N,N-dibutyl-5-chloro-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
N,N-dibutyl-5-chloro-6-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 311.90 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-5-chloro-6-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 63489625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).