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

C17H30ClN3 — CID 63490143

IUPAC3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cnc(N(CC(C)C)CC(C)C)c(Cl)c1
InChIInChI=1S/C17H30ClN3/c1-6-7-19-9-15-8-16(18)17(20-10-15)21(11-13(2)3)12-14(4)5/h8,10,13-14,19H,6-7,9,11-12H2,1-5H3
InChIKeyFHCCPGHXBBYIRD-UHFFFAOYSA-N
MW311.90 g/mol
LogP4.35
Rot. Bonds9

About 3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine

3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine (PubChem CID 63490143) has the molecular formula C17H30ClN3 and a molecular weight of 311.90 g/mol. Its IUPAC name is 3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine
PubChem CID63490143
Molecular FormulaC17H30ClN3
Molecular Weight311.90 g/mol
Exact Mass311.21
IUPAC Name3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cnc(N(CC(C)C)CC(C)C)c(Cl)c1
InChIInChI=1S/C17H30ClN3/c1-6-7-19-9-15-8-16(18)17(20-10-15)21(11-13(2)3)12-14(4)5/h8,10,13-14,19H,6-7,9,11-12H2,1-5H3
InChIKeyFHCCPGHXBBYIRD-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'}

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Related Compounds

3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62279192
N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62290699
3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 63487574
3-chloro-5-(ethylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 62284271
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine
CID 55054577
5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine
CID 114925412
1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
CID 79679769
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82007112
N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55008890
N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 66275529
3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(propylaminomethyl)pyridin-2-amine
CID 62289802
3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine
CID 62293550

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine (CID 63490143) is 3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine is CCCNCc1cnc(N(CC(C)C)CC(C)C)c(Cl)c1.
What is the InChIKey of 3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine?
The InChIKey is FHCCPGHXBBYIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClN3/c1-6-7-19-9-15-8-16(18)17(20-10-15)21(11-13(2)3)12-14(4)5/h8,10,13-14,19H,6-7,9,11-12H2,1-5H3.
What are the key properties of 3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine?
3-chloro-N,N-bis(2-methylpropyl)-5-(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 3-chloro-N,N-bis(2-methylpropyl)-5-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 63490143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).