N-[1-(1-adamantyl)ethyl]-2-chloropyridin-3-amine

C17H23ClN2 — CID 43690050

IUPACN-[1-(1-adamantyl)ethyl]-2-chloropyridin-3-amine
SMILESCC(Nc1cccnc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23ClN2/c1-11(20-15-3-2-4-19-16(15)18)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,11-14,20H,5-10H2,1H3
InChIKeyWCCPTVKBUZKAPX-UHFFFAOYSA-N
MW290.84 g/mol
LogP4.75
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]-2-chloropyridin-3-amine

N-[1-(1-adamantyl)ethyl]-2-chloropyridin-3-amine (PubChem CID 43690050) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-chloropyridin-3-amine.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-chloropyridin-3-amine
PubChem CID43690050
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-chloropyridin-3-amine
SMILESCC(Nc1cccnc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23ClN2/c1-11(20-15-3-2-4-19-16(15)18)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,11-14,20H,5-10H2,1H3
InChIKeyWCCPTVKBUZKAPX-UHFFFAOYSA-N
XLogP4.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[1-(1-adamantyl)ethyl]-2-chloropyridin-3-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

N-[1-(1-adamantyl)ethyl]-2,3-dimethylaniline
CID 43099908
N-[1-(1-adamantyl)ethyl]-2,6-dichloroaniline
CID 65468370
2-chloro-N-(1-cyclopentylethyl)pyridin-3-amine
CID 62633166
N-(2-chloro-3-pyridinyl)adamantane-1-carboxamide
CID 3908305
3-[1-[(3-chloro-2-pyridinyl)amino]ethyl]adamantan-1-ol
CID 134711908
2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43689899
2-[(2-chloro-3-pyridinyl)amino]propanoic acid
CID 66174310
3-[(2-chloro-3-pyridinyl)amino]-2-methylbutan-2-ol
CID 65338181
1-(1-adamantyl)-N-(pyridin-2-ylmethyl)ethanamine;dihydrochloride
CID 163327971
N-[1-(1-adamantyl)ethyl]-3,6-dichloro-1,2,4-triazin-5-amine
CID 81037312
N-[1-(1-adamantyl)ethyl]-2,5-dibromoaniline
CID 63446331
N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylaniline
CID 43110752

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-chloropyridin-3-amine?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-chloropyridin-3-amine (CID 43690050) is N-[1-(1-adamantyl)ethyl]-2-chloropyridin-3-amine.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-chloropyridin-3-amine?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-chloropyridin-3-amine is CC(Nc1cccnc1Cl)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-chloropyridin-3-amine?
The InChIKey is WCCPTVKBUZKAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c1-11(20-15-3-2-4-19-16(15)18)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,11-14,20H,5-10H2,1H3.
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-chloropyridin-3-amine?
N-[1-(1-adamantyl)ethyl]-2-chloropyridin-3-amine has a molecular weight of 290.84 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-chloropyridin-3-amine is sourced from PubChem (CID 43690050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).