N-[2-(1H-imidazol-5-yl)ethyl]adamantan-2-amine

C15H23N3 — CID 65232016

IUPACN-[2-(1H-imidazol-5-yl)ethyl]adamantan-2-amine
SMILESc1ncc(CCNC2C3CC4CC(C3)CC2C4)[nH]1
InChIInChI=1S/C15H23N3/c1(14-8-16-9-18-14)2-17-15-12-4-10-3-11(6-12)7-13(15)5-10/h8-13,15,17H,1-7H2,(H,16,18)
InChIKeyPCYHUQHRCAHXJX-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.37
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]adamantan-2-amine

N-[2-(1H-imidazol-5-yl)ethyl]adamantan-2-amine (PubChem CID 65232016) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]adamantan-2-amine
PubChem CID65232016
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]adamantan-2-amine
SMILESc1ncc(CCNC2C3CC4CC(C3)CC2C4)[nH]1
InChIInChI=1S/C15H23N3/c1(14-8-16-9-18-14)2-17-15-12-4-10-3-11(6-12)7-13(15)5-10/h8-13,15,17H,1-7H2,(H,16,18)
InChIKeyPCYHUQHRCAHXJX-UHFFFAOYSA-N
XLogP2.37
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(1H-imidazol-5-yl)ethyl]adamantan-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

N-[2-(1H-imidazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 65232015
2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine
CID 65232162
N-[2-(1H-imidazol-5-yl)ethyl]-1,1-dioxothian-4-amine
CID 65231063
N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658816
4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine
CID 65230583
1-(2-adamantyl)-3-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]urea
CID 16645873
3-(3-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclobutan-1-amine
CID 65232395
3-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]spiro[3.3]heptan-1-amine
CID 65294827
N-[2-(1H-imidazol-5-yl)ethyl]-2-propyloxan-4-amine
CID 65230541
N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride
CID 70625954
N-[2-(1H-imidazol-5-yl)ethyl]-4,4-dimethylthian-3-amine
CID 79948121
N-[2-(1H-imidazol-5-yl)ethyl]-1-pyridin-4-ylpiperidin-4-amine
CID 65231968

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]adamantan-2-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]adamantan-2-amine (CID 65232016) is N-[2-(1H-imidazol-5-yl)ethyl]adamantan-2-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]adamantan-2-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]adamantan-2-amine is c1ncc(CCNC2C3CC4CC(C3)CC2C4)[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]adamantan-2-amine?
The InChIKey is PCYHUQHRCAHXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1(14-8-16-9-18-14)2-17-15-12-4-10-3-11(6-12)7-13(15)5-10/h8-13,15,17H,1-7H2,(H,16,18).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]adamantan-2-amine?
N-[2-(1H-imidazol-5-yl)ethyl]adamantan-2-amine has a molecular weight of 245.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]adamantan-2-amine is sourced from PubChem (CID 65232016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).