2-(adamantane-1-carbonylamino)ethyl-diethylazanium

C17H31N2O+ — CID 4997383

IUPAC2-(adamantane-1-carbonylamino)ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N2O/c1-3-19(4-2)6-5-18-16(20)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,3-12H2,1-2H3,(H,18,20)/p+1
InChIKeyZCWPLFSPERUBNW-UHFFFAOYSA-O
MW279.45 g/mol
LogP1.24
Rot. Bonds6

About 2-(adamantane-1-carbonylamino)ethyl-diethylazanium

2-(adamantane-1-carbonylamino)ethyl-diethylazanium (PubChem CID 4997383) has the molecular formula C17H31N2O+ and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-(adamantane-1-carbonylamino)ethyl-diethylazanium.

Molecular Properties

Compound Name2-(adamantane-1-carbonylamino)ethyl-diethylazanium
PubChem CID4997383
Molecular FormulaC17H31N2O+
Molecular Weight279.45 g/mol
Exact Mass279.24
IUPAC Name2-(adamantane-1-carbonylamino)ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N2O/c1-3-19(4-2)6-5-18-16(20)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,3-12H2,1-2H3,(H,18,20)/p+1
InChIKeyZCWPLFSPERUBNW-UHFFFAOYSA-O
XLogP1.24
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3S)-3-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide
CID 7418135
N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 3041449
N-(3-aminopropyl)adamantane-1-carboxamide
CID 3117359
N-(3-methoxypropyl)adamantane-1-carboxamide
CID 2805242
N-(4-iodobutyl)adamantane-1-carboxamide
CID 106846336
(3R,6R)-N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 6345940
N-(5-bromopentyl)adamantane-1-carboxamide
CID 107321772
N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride
CID 5340149
N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide
CID 51175569
3-(adamantane-1-carbonylamino)propyl-dodecyl-dimethylazanium
CID 54370824
N-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 30550443
N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide
CID 7106778

Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonylamino)ethyl-diethylazanium?
The IUPAC name of 2-(adamantane-1-carbonylamino)ethyl-diethylazanium (CID 4997383) is 2-(adamantane-1-carbonylamino)ethyl-diethylazanium.
What is the SMILES notation for 2-(adamantane-1-carbonylamino)ethyl-diethylazanium?
The canonical SMILES for 2-(adamantane-1-carbonylamino)ethyl-diethylazanium is CC[NH+](CC)CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(adamantane-1-carbonylamino)ethyl-diethylazanium?
The InChIKey is ZCWPLFSPERUBNW-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H30N2O/c1-3-19(4-2)6-5-18-16(20)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,3-12H2,1-2H3,(H,18,20)/p+1.
What are the key properties of 2-(adamantane-1-carbonylamino)ethyl-diethylazanium?
2-(adamantane-1-carbonylamino)ethyl-diethylazanium has a molecular weight of 279.45 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(adamantane-1-carbonylamino)ethyl-diethylazanium is sourced from PubChem (CID 4997383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).