N-[3-(dimethylamino)propyl]adamantane-1-carboxamide

C16H28N2O — CID 2831272

IUPACN-[3-(dimethylamino)propyl]adamantane-1-carboxamide
SMILESCN(C)CCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O/c1-18(2)5-3-4-17-15(19)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyQQODKUGXCDHWRN-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.27
Rot. Bonds5

About N-[3-(dimethylamino)propyl]adamantane-1-carboxamide

N-[3-(dimethylamino)propyl]adamantane-1-carboxamide (PubChem CID 2831272) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]adamantane-1-carboxamide
PubChem CID2831272
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[3-(dimethylamino)propyl]adamantane-1-carboxamide
SMILESCN(C)CCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O/c1-18(2)5-3-4-17-15(19)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyQQODKUGXCDHWRN-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 212874
2-Adamantan-1-yl-N-decyl-acetamide
CID 11382033
(alphaS)-alpha-Amino-N-(cyanomethyl)-N-ethyltricyclo[3.3.1.13,7]decane-1-acetamide
CID 23645896
Adamantan-1-yl-piperazin-1-yl-methanone
CID 17233943
(2S)-2-(adamantan-1-yl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide
CID 23645892
(2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-propylacetamide
CID 23645897
2,2'-tricyclo[3.3.1.1~3,7~]decane-1,3-diylbis(N-allylacetamide)
CID 2955042
1-[2-(Adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide
CID 4782419
2-(1-adamantyl)-N-cyclopropylacetamide
CID 5116038
(3,5-Dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone
CID 6464652
2-(adamantan-1-yl)-N-methylacetamide
CID 610088
N-[2-(diethylamino)ethyl]-3,5-dimethyl-1-adamantanecarboxamide hydrochloride
CID 2850702

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]adamantane-1-carboxamide (CID 2831272) is N-[3-(dimethylamino)propyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]adamantane-1-carboxamide is CN(C)CCCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-(dimethylamino)propyl]adamantane-1-carboxamide?
The InChIKey is QQODKUGXCDHWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-18(2)5-3-4-17-15(19)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,3-11H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)propyl]adamantane-1-carboxamide?
N-[3-(dimethylamino)propyl]adamantane-1-carboxamide has a molecular weight of 264.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]adamantane-1-carboxamide is sourced from PubChem (CID 2831272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).