N,N-bis[2-(1-adamantyl)ethyl]-2-methylpropan-2-amine

C28H47N — CID 153425161

IUPACN,N-bis[2-(1-adamantyl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)N(CCC12CC3CC(CC(C3)C1)C2)CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H47N/c1-26(2,3)29(6-4-27-14-20-8-21(15-27)10-22(9-20)16-27)7-5-28-17-23-11-24(18-28)13-25(12-23)19-28/h20-25H,4-19H2,1-3H3
InChIKeyPAJZZVADAZYWGT-UHFFFAOYSA-N
MW397.69 g/mol
LogP7.30
Rot. Bonds6

About N,N-bis[2-(1-adamantyl)ethyl]-2-methylpropan-2-amine

N,N-bis[2-(1-adamantyl)ethyl]-2-methylpropan-2-amine (PubChem CID 153425161) has the molecular formula C28H47N and a molecular weight of 397.69 g/mol. Its IUPAC name is N,N-bis[2-(1-adamantyl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN,N-bis[2-(1-adamantyl)ethyl]-2-methylpropan-2-amine
PubChem CID153425161
Molecular FormulaC28H47N
Molecular Weight397.69 g/mol
Exact Mass397.37
IUPAC NameN,N-bis[2-(1-adamantyl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)N(CCC12CC3CC(CC(C3)C1)C2)CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H47N/c1-26(2,3)29(6-4-27-14-20-8-21(15-27)10-22(9-20)16-27)7-5-28-17-23-11-24(18-28)13-25(12-23)19-28/h20-25H,4-19H2,1-3H3
InChIKeyPAJZZVADAZYWGT-UHFFFAOYSA-N
XLogP7.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.69
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-bis[2-(1-adamantyl)ethyl]-2-methylpropan-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

3-[2-(1-adamantyl)ethyl-methylamino]propan-1-ol
CID 114230783
N'-[2-(1-adamantyl)ethyl]-N'-methylpropane-1,3-diamine
CID 113285775
2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol
CID 60692321
2-[2-(1-adamantyl)ethyl-butylamino]ethanol
CID 60689159
N-[2-(1-adamantyl)ethyl]-N-methylpyrrolidin-3-amine
CID 63301466
methyl 3-[2-(1-adamantyl)ethyl-methylamino]propanoate
CID 63468846
2-(1-adamantyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 79702615
1-hexyladamantane
CID 585171
1-(3,3-dimethylbutyl)bicyclo[1.1.1]pentane
CID 163628127
2-[2-(1-adamantyl)ethyl-cyclopentylamino]ethanol
CID 63468880
CID 174148306
CID 174148306
3-(1-adamantyl)propanenitrile
CID 3366901

Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(1-adamantyl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N,N-bis[2-(1-adamantyl)ethyl]-2-methylpropan-2-amine (CID 153425161) is N,N-bis[2-(1-adamantyl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N,N-bis[2-(1-adamantyl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N,N-bis[2-(1-adamantyl)ethyl]-2-methylpropan-2-amine is CC(C)(C)N(CCC12CC3CC(CC(C3)C1)C2)CCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N,N-bis[2-(1-adamantyl)ethyl]-2-methylpropan-2-amine?
The InChIKey is PAJZZVADAZYWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H47N/c1-26(2,3)29(6-4-27-14-20-8-21(15-27)10-22(9-20)16-27)7-5-28-17-23-11-24(18-28)13-25(12-23)19-28/h20-25H,4-19H2,1-3H3.
What are the key properties of N,N-bis[2-(1-adamantyl)ethyl]-2-methylpropan-2-amine?
N,N-bis[2-(1-adamantyl)ethyl]-2-methylpropan-2-amine has a molecular weight of 397.69 g/mol, XLogP of 7.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(1-adamantyl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 153425161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).