N',N'-bis(1-adamantyl)propane-1,3-diamine

C23H38N2 — CID 139912935

IUPACN',N'-bis(1-adamantyl)propane-1,3-diamine
SMILESNCCCN(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H38N2/c24-2-1-3-25(22-10-16-4-17(11-22)6-18(5-16)12-22)23-13-19-7-20(14-23)9-21(8-19)15-23/h16-21H,1-15,24H2
InChIKeyUDKKTWQZJJIEAV-UHFFFAOYSA-N
MW342.57 g/mol
LogP4.57
Rot. Bonds5

About N',N'-bis(1-adamantyl)propane-1,3-diamine

N',N'-bis(1-adamantyl)propane-1,3-diamine (PubChem CID 139912935) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is N',N'-bis(1-adamantyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-bis(1-adamantyl)propane-1,3-diamine
PubChem CID139912935
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC NameN',N'-bis(1-adamantyl)propane-1,3-diamine
SMILESNCCCN(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H38N2/c24-2-1-3-25(22-10-16-4-17(11-22)6-18(5-16)12-22)23-13-19-7-20(14-23)9-21(8-19)15-23/h16-21H,1-15,24H2
InChIKeyUDKKTWQZJJIEAV-UHFFFAOYSA-N
XLogP4.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.57
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(1-adamantyl)ethyl]-N'-methylpropane-1,3-diamine
CID 113285775
N-(3-aminopropyl)-N-cyclobutyladamantane-1-carboxamide
CID 102873863
N'-(1-adamantyl)propane-1,3-diamine
CID 5032001
N'-(1-adamantyl)-N'-[(1R,2S)-2-phenylcyclopropyl]ethane-1,2-diamine
CID 67159344
N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide
CID 63287228
3-[1-adamantyl(methyl)amino]propan-1-ol;hydrochloride
CID 2865633
N'-chloro-N'-[[(3S)-4-methyl-1-adamantyl]methyl]pentane-1,5-diamine
CID 165085924
2-[3-(2-aminoethyl)-1-adamantyl]ethanamine
CID 818513
N-(3-aminopropyl)adamantane-1-carboxamide
CID 3117359
1-(1-adamantyl)-1-propylthiourea
CID 87366146
N'-(1-adamantyl)-N,N'-dimethylbutane-1,4-diamine
CID 170778884
2-[3-(2-aminoethyl)-1-adamantyl]ethanamine;dihydrochloride
CID 53444440

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(1-adamantyl)propane-1,3-diamine?
The IUPAC name of N',N'-bis(1-adamantyl)propane-1,3-diamine (CID 139912935) is N',N'-bis(1-adamantyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-bis(1-adamantyl)propane-1,3-diamine?
The canonical SMILES for N',N'-bis(1-adamantyl)propane-1,3-diamine is NCCCN(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N',N'-bis(1-adamantyl)propane-1,3-diamine?
The InChIKey is UDKKTWQZJJIEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2/c24-2-1-3-25(22-10-16-4-17(11-22)6-18(5-16)12-22)23-13-19-7-20(14-23)9-21(8-19)15-23/h16-21H,1-15,24H2.
What are the key properties of N',N'-bis(1-adamantyl)propane-1,3-diamine?
N',N'-bis(1-adamantyl)propane-1,3-diamine has a molecular weight of 342.57 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(1-adamantyl)propane-1,3-diamine is sourced from PubChem (CID 139912935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).