3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine

C17H28ClN3 — CID 63487574

IUPAC3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine
SMILESCC(C)CN(CC(C)C)c1ncc(CNC2CC2)cc1Cl
InChIInChI=1S/C17H28ClN3/c1-12(2)10-21(11-13(3)4)17-16(18)7-14(9-20-17)8-19-15-5-6-15/h7,9,12-13,15,19H,5-6,8,10-11H2,1-4H3
InChIKeyKQNFOESJNDOCPI-UHFFFAOYSA-N
MW309.89 g/mol
LogP4.11
Rot. Bonds8

About 3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine

3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine (PubChem CID 63487574) has the molecular formula C17H28ClN3 and a molecular weight of 309.89 g/mol. Its IUPAC name is 3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine
PubChem CID63487574
Molecular FormulaC17H28ClN3
Molecular Weight309.89 g/mol
Exact Mass309.20
IUPAC Name3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine
SMILESCC(C)CN(CC(C)C)c1ncc(CNC2CC2)cc1Cl
InChIInChI=1S/C17H28ClN3/c1-12(2)10-21(11-13(3)4)17-16(18)7-14(9-20-17)8-19-15-5-6-15/h7,9,12-13,15,19H,5-6,8,10-11H2,1-4H3
InChIKeyKQNFOESJNDOCPI-UHFFFAOYSA-N
XLogP4.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.89
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)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

3-chloro-5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 63941049
2-N-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191559
N'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62294850
3-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82953039
3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine
CID 63490143
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62279192
N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 66275528
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 82007113
3-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 62283336
3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine
CID 62284099
N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55008890
5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
CID 80630227

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine?
The IUPAC name of 3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine (CID 63487574) is 3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine is CC(C)CN(CC(C)C)c1ncc(CNC2CC2)cc1Cl.
What is the InChIKey of 3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine?
The InChIKey is KQNFOESJNDOCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-12(2)10-21(11-13(3)4)17-16(18)7-14(9-20-17)8-19-15-5-6-15/h7,9,12-13,15,19H,5-6,8,10-11H2,1-4H3.
What are the key properties of 3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine?
3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine has a molecular weight of 309.89 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine is sourced from PubChem (CID 63487574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).