(1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C18H34N2 — CID 166445853

IUPAC(1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(C[C@@H](N)C12CC3CC(CC(C3)C1)C2)C(C)C
InChIInChI=1S/C18H34N2/c1-12(2)20(13(3)4)11-17(19)18-8-14-5-15(9-18)7-16(6-14)10-18/h12-17H,5-11,19H2,1-4H3/t14?,15?,16?,17-,18?/m1/s1
InChIKeyLJAJRARFGGNCKS-AWDGRILASA-N
MW278.48 g/mol
LogP3.65
Rot. Bonds5

About (1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

(1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 166445853) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is (1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID166445853
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name(1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(C[C@@H](N)C12CC3CC(CC(C3)C1)C2)C(C)C
InChIInChI=1S/C18H34N2/c1-12(2)20(13(3)4)11-17(19)18-8-14-5-15(9-18)7-16(6-14)10-18/h12-17H,5-11,19H2,1-4H3/t14?,15?,16?,17-,18?/m1/s1
InChIKeyLJAJRARFGGNCKS-AWDGRILASA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine 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

(1R)-1-(1-adamantyl)ethanamine
CID 7048786
1-(1-adamantyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 79177412
1-(1-adamantyl)-2-propan-2-ylsulfinylethanamine
CID 64655802
1-(1-adamantyl)-2-cyclopropylethanamine
CID 64904037
1-(1-adamantyl)-2-(4-methylpentan-2-yloxy)ethanamine
CID 43105658
1-(1-adamantyl)-2-cyclobutylethanamine
CID 65457441
1-propan-2-yladamantane;1-propan-2-ylbicyclo[1.1.1]pentane
CID 159977923
1-(1-adamantyl)-2-(2-methoxyethylsulfonyl)ethanamine
CID 64647127
1-(1-adamantyl)-2,2-dimethylpropan-1-amine
CID 12619343
[1-(1-adamantyl)-4-methylpentyl]hydrazine
CID 105214382
1-[(1R)-1-chloroethyl]adamantane
CID 94672919
2-(1-adamantyl)propan-1-ol
CID 23623999

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of (1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 166445853) is (1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for (1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(C[C@@H](N)C12CC3CC(CC(C3)C1)C2)C(C)C.
What is the InChIKey of (1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is LJAJRARFGGNCKS-AWDGRILASA-N. The full InChI is InChI=1S/C18H34N2/c1-12(2)20(13(3)4)11-17(19)18-8-14-5-15(9-18)7-16(6-14)10-18/h12-17H,5-11,19H2,1-4H3/t14?,15?,16?,17-,18?/m1/s1.
What are the key properties of (1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
(1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 278.48 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 166445853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).