N'-(2-adamantyl)-N-(3,7-dimethyloctyl)ethane-1,2-diamine

C22H42N2 — CID 46203796

IUPACN'-(2-adamantyl)-N-(3,7-dimethyloctyl)ethane-1,2-diamine
SMILESCC(C)CCCC(C)CCNCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H42N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h16-24H,4-15H2,1-3H3
InChIKeyQGCOZRKJDNMJOE-UHFFFAOYSA-N
MW334.59 g/mol
LogP4.84
Rot. Bonds11

About N'-(2-adamantyl)-N-(3,7-dimethyloctyl)ethane-1,2-diamine

N'-(2-adamantyl)-N-(3,7-dimethyloctyl)ethane-1,2-diamine (PubChem CID 46203796) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is N'-(2-adamantyl)-N-(3,7-dimethyloctyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-adamantyl)-N-(3,7-dimethyloctyl)ethane-1,2-diamine
PubChem CID46203796
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC NameN'-(2-adamantyl)-N-(3,7-dimethyloctyl)ethane-1,2-diamine
SMILESCC(C)CCCC(C)CCNCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H42N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h16-24H,4-15H2,1-3H3
InChIKeyQGCOZRKJDNMJOE-UHFFFAOYSA-N
XLogP4.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.59
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-Adamantyl)ethylenediamine
CID 303798
N-methyladamantan-2-amine
CID 25334
4,4'-Methylenebis(N-sec-butylcyclohexamine)
CID 21885336
N-methyladamantan-2-amine hydrochloride
CID 25333
N1-(adamantan-2-yl)ethane-1,2-diamine
CID 22315744
N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-2-adamantanamine
CID 2845439
(2S)-1-[2-(1-adamantyl)ethyl]-2-butan-2-ylpiperazine
CID 44143118
1-dodecyl-N-ethyladamantan-2-amine
CID 44457362
(2R)-2-N-[(2R)-2-[2-(1-adamantyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine
CID 45482188
{(S)-2-[(R)-4-(2-Adamantan-1-yl-ethyl)-3-isopropyl-piperazin-1-yl]-3-methyl-pentyl}-methyl-amine
CID 45482258
N'-(1-adamantyl)-N-(3,7-dimethyloctyl)ethane-1,2-diamine
CID 46203484
N'-(2-adamantyl)-N-(3,7,11-trimethyldodecyl)ethane-1,2-diamine
CID 46203798

Frequently Asked Questions

What is the IUPAC name of N'-(2-adamantyl)-N-(3,7-dimethyloctyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-adamantyl)-N-(3,7-dimethyloctyl)ethane-1,2-diamine (CID 46203796) is N'-(2-adamantyl)-N-(3,7-dimethyloctyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-adamantyl)-N-(3,7-dimethyloctyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-adamantyl)-N-(3,7-dimethyloctyl)ethane-1,2-diamine is CC(C)CCCC(C)CCNCCNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N'-(2-adamantyl)-N-(3,7-dimethyloctyl)ethane-1,2-diamine?
The InChIKey is QGCOZRKJDNMJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h16-24H,4-15H2,1-3H3.
What are the key properties of N'-(2-adamantyl)-N-(3,7-dimethyloctyl)ethane-1,2-diamine?
N'-(2-adamantyl)-N-(3,7-dimethyloctyl)ethane-1,2-diamine has a molecular weight of 334.59 g/mol, XLogP of 4.84, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-adamantyl)-N-(3,7-dimethyloctyl)ethane-1,2-diamine is sourced from PubChem (CID 46203796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).