N-(1-adamantyl)adamantan-2-amine;hydrochloride

C20H32ClN — CID 163325641

IUPACN-(1-adamantyl)adamantan-2-amine;hydrochloride
SMILESC1C2CC3CC1CC(C2)C3NC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C20H31N.ClH/c1-12-5-17-7-13(1)8-18(6-12)19(17)21-20-9-14-2-15(10-20)4-16(3-14)11-20;/h12-19,21H,1-11H2;1H
InChIKeyZUWSMZXNGXDLNC-UHFFFAOYSA-N
MW321.94 g/mol
LogP4.79
Rot. Bonds2

About N-(1-adamantyl)adamantan-2-amine;hydrochloride

N-(1-adamantyl)adamantan-2-amine;hydrochloride (PubChem CID 163325641) has the molecular formula C20H32ClN and a molecular weight of 321.94 g/mol. Its IUPAC name is N-(1-adamantyl)adamantan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(1-adamantyl)adamantan-2-amine;hydrochloride
PubChem CID163325641
Molecular FormulaC20H32ClN
Molecular Weight321.94 g/mol
Exact Mass321.22
IUPAC NameN-(1-adamantyl)adamantan-2-amine;hydrochloride
SMILESC1C2CC3CC1CC(C2)C3NC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C20H31N.ClH/c1-12-5-17-7-13(1)8-18(6-12)19(17)21-20-9-14-2-15(10-20)4-16(3-14)11-20;/h12-19,21H,1-11H2;1H
InChIKeyZUWSMZXNGXDLNC-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.94
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyladamantan-1-amine
CID 19476
2-(1-adamantyl)-1,1-dimethylhydrazine;hydrochloride
CID 70525718
2-(1-adamantylamino)cycloheptane-1-carbonitrile
CID 62743119
N-methyltricyclo[4.3.1.13,8]undecan-1-amine
CID 123976762
N-dimethylsilyladamantan-1-amine
CID 151865099
N-(cyclopentylmethyl)adamantan-1-amine
CID 61345167
1-N,4-N-bis(1-adamantyl)bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 171722423
N'-(1-adamantyl)acetohydrazide
CID 57252172
1-(2-adamantyl)-3-methylthiourea
CID 4244835
N-(4-hydroxy-1-adamantyl)acetamide
CID 14948121
N-[(3S,5R)-4-methyl-1-adamantyl]acetamide
CID 11896190
Adamantylsilicone
CID 18798576

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)adamantan-2-amine;hydrochloride?
The IUPAC name of N-(1-adamantyl)adamantan-2-amine;hydrochloride (CID 163325641) is N-(1-adamantyl)adamantan-2-amine;hydrochloride.
What is the SMILES notation for N-(1-adamantyl)adamantan-2-amine;hydrochloride?
The canonical SMILES for N-(1-adamantyl)adamantan-2-amine;hydrochloride is C1C2CC3CC1CC(C2)C3NC12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of N-(1-adamantyl)adamantan-2-amine;hydrochloride?
The InChIKey is ZUWSMZXNGXDLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N.ClH/c1-12-5-17-7-13(1)8-18(6-12)19(17)21-20-9-14-2-15(10-20)4-16(3-14)11-20;/h12-19,21H,1-11H2;1H.
What are the key properties of N-(1-adamantyl)adamantan-2-amine;hydrochloride?
N-(1-adamantyl)adamantan-2-amine;hydrochloride has a molecular weight of 321.94 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)adamantan-2-amine;hydrochloride is sourced from PubChem (CID 163325641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).