5,7-dimethyl-1-phenyladamantane-2,2-diamine

C18H26N2 — CID 141394164

IUPAC5,7-dimethyl-1-phenyladamantane-2,2-diamine
SMILESCC12CC3CC(C)(C1)CC(c1ccccc1)(C2)C3(N)N
InChIInChI=1S/C18H26N2/c1-15-8-14-9-16(2,10-15)12-17(11-15,18(14,19)20)13-6-4-3-5-7-13/h3-7,14H,8-12,19-20H2,1-2H3
InChIKeyUENQOMMVYGLZOX-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.16
Rot. Bonds1

About 5,7-dimethyl-1-phenyladamantane-2,2-diamine

5,7-dimethyl-1-phenyladamantane-2,2-diamine (PubChem CID 141394164) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 5,7-dimethyl-1-phenyladamantane-2,2-diamine.

Molecular Properties

Compound Name5,7-dimethyl-1-phenyladamantane-2,2-diamine
PubChem CID141394164
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name5,7-dimethyl-1-phenyladamantane-2,2-diamine
SMILESCC12CC3CC(C)(C1)CC(c1ccccc1)(C2)C3(N)N
InChIInChI=1S/C18H26N2/c1-15-8-14-9-16(2,10-15)12-17(11-15,18(14,19)20)13-6-4-3-5-7-13/h3-7,14H,8-12,19-20H2,1-2H3
InChIKeyUENQOMMVYGLZOX-UHFFFAOYSA-N
XLogP3.16
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethyl-1-adamantyl)-1-phenylethanamine
CID 79987752
(1R,2S,4R)-1,7,7-trimethyl-4-phenylbicyclo[2.2.1]heptan-2-amine
CID 97036416
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
1-methyl-3,5,7-triphenyladamantane
CID 20728636
1-[(3,5-dimethyl-1-adamantyl)methyl]-3-phenylurea
CID 2873785
N-[[(3R,5R)-3,5-dimethyl-1-adamantyl]methyl]benzamide
CID 98095522
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
cis-(1R,2S)-2-fluoro-1-phenylcyclopropan-1-amine
CID 11457782
trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride
CID 118483877
3,3,6,6,7-pentamethyl-1-phenylbicyclo[3.3.1]nonane
CID 162525772
1-[[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methyl]piperidin-4-amine
CID 137436018
[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanol
CID 15781967

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1-phenyladamantane-2,2-diamine?
The IUPAC name of 5,7-dimethyl-1-phenyladamantane-2,2-diamine (CID 141394164) is 5,7-dimethyl-1-phenyladamantane-2,2-diamine.
What is the SMILES notation for 5,7-dimethyl-1-phenyladamantane-2,2-diamine?
The canonical SMILES for 5,7-dimethyl-1-phenyladamantane-2,2-diamine is CC12CC3CC(C)(C1)CC(c1ccccc1)(C2)C3(N)N.
What is the InChIKey of 5,7-dimethyl-1-phenyladamantane-2,2-diamine?
The InChIKey is UENQOMMVYGLZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-15-8-14-9-16(2,10-15)12-17(11-15,18(14,19)20)13-6-4-3-5-7-13/h3-7,14H,8-12,19-20H2,1-2H3.
What are the key properties of 5,7-dimethyl-1-phenyladamantane-2,2-diamine?
5,7-dimethyl-1-phenyladamantane-2,2-diamine has a molecular weight of 270.42 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1-phenyladamantane-2,2-diamine is sourced from PubChem (CID 141394164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).