adamantan-1-amine

C10H17N — CID 2130

IUPACadamantan-1-amine
SMILESNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
InChIKeyDKNWSYNQZKUICI-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.91
Rot. Bonds

About adamantan-1-amine

adamantan-1-amine (PubChem CID 2130) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is adamantan-1-amine.

Molecular Properties

Compound Nameadamantan-1-amine
PubChem CID2130
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Nameadamantan-1-amine
SMILESNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
InChIKeyDKNWSYNQZKUICI-UHFFFAOYSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Memantine
CID 4054
Amantadine Hydrochloride
CID 64150
Memantine Hydrochloride
CID 181458
(3R,5S)-3,5-dimethyl-1-adamantanamine
CID 1263681
1-(Methylamino)adamantane
CID 19476
Adamantane-1,3-diamine
CID 213512
(1r,3R,5S,7r)-3,5-dimethyladamantan-1-amine hydrochloride
CID 11229655
2-(1-Adamantyl)propan-2-amine
CID 3010140
Tricyclo(3.3.1.1(sup 3,7))decane-1,3-diamine, dihydrochloride
CID 213511
1-Adamantyl isocyanide
CID 140885
Somantadine
CID 50234
1-Amino-3-ethyladamantane
CID 64352

Frequently Asked Questions

What is the IUPAC name of adamantan-1-amine?
The IUPAC name of adamantan-1-amine (CID 2130) is adamantan-1-amine.
What is the SMILES notation for adamantan-1-amine?
The canonical SMILES for adamantan-1-amine is NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of adamantan-1-amine?
The InChIKey is DKNWSYNQZKUICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2.
What are the key properties of adamantan-1-amine?
adamantan-1-amine has a molecular weight of 151.25 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for adamantan-1-amine is sourced from PubChem (CID 2130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).