3,5-dimethyl-N-[3-(methylamino)propyl]adamantane-1-carboxamide;hydrochloride

C17H31ClN2O — CID 119430118

IUPAC3,5-dimethyl-N-[3-(methylamino)propyl]adamantane-1-carboxamide;hydrochloride
SMILESCNCCCNC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.Cl
InChIInChI=1S/C17H30N2O.ClH/c1-15-7-13-8-16(2,10-15)12-17(9-13,11-15)14(20)19-6-4-5-18-3;/h13,18H,4-12H2,1-3H3,(H,19,20);1H
InChIKeyBSPNBSOLZIWHNR-UHFFFAOYSA-N
MW314.90 g/mol
LogP3.13
Rot. Bonds5

About 3,5-dimethyl-N-[3-(methylamino)propyl]adamantane-1-carboxamide;hydrochloride

3,5-dimethyl-N-[3-(methylamino)propyl]adamantane-1-carboxamide;hydrochloride (PubChem CID 119430118) has the molecular formula C17H31ClN2O and a molecular weight of 314.90 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(methylamino)propyl]adamantane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(methylamino)propyl]adamantane-1-carboxamide;hydrochloride
PubChem CID119430118
Molecular FormulaC17H31ClN2O
Molecular Weight314.90 g/mol
Exact Mass314.21
IUPAC Name3,5-dimethyl-N-[3-(methylamino)propyl]adamantane-1-carboxamide;hydrochloride
SMILESCNCCCNC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.Cl
InChIInChI=1S/C17H30N2O.ClH/c1-15-7-13-8-16(2,10-15)12-17(9-13,11-15)14(20)19-6-4-5-18-3;/h13,18H,4-12H2,1-3H3,(H,19,20);1H
InChIKeyBSPNBSOLZIWHNR-UHFFFAOYSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.90
LogP ≤ 53.13
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-(5-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide
CID 107318418
(3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide
CID 98075814
N-(5-bromopentyl)-3,5-dimethyladamantane-1-carboxamide
CID 107322108
3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)adamantane-1-carboxamide;hydrochloride
CID 119534060
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,5-dimethyladamantane-1-carboxamide
CID 80718925
methyl 2-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]acetate
CID 27194648
(3R,5S)-3,5-dimethyl-N-prop-2-enyladamantane-1-carboxamide
CID 97170508
(3R,5R)-3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]adamantane-1-carboxamide
CID 98331774
3,5-dimethyl-N-[3-(2-oxoazepan-1-yl)propyl]adamantane-1-carboxamide
CID 112767661
N-(3-chloro-2,2-dimethylpropyl)-3,5-dimethyladamantane-1-carboxamide
CID 115364559
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3,5-dimethyladamantane-1-carboxamide
CID 112846085
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[5-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
CID 46180263

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(methylamino)propyl]adamantane-1-carboxamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-N-[3-(methylamino)propyl]adamantane-1-carboxamide;hydrochloride (CID 119430118) is 3,5-dimethyl-N-[3-(methylamino)propyl]adamantane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-N-[3-(methylamino)propyl]adamantane-1-carboxamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-N-[3-(methylamino)propyl]adamantane-1-carboxamide;hydrochloride is CNCCCNC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.Cl.
What is the InChIKey of 3,5-dimethyl-N-[3-(methylamino)propyl]adamantane-1-carboxamide;hydrochloride?
The InChIKey is BSPNBSOLZIWHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O.ClH/c1-15-7-13-8-16(2,10-15)12-17(9-13,11-15)14(20)19-6-4-5-18-3;/h13,18H,4-12H2,1-3H3,(H,19,20);1H.
What are the key properties of 3,5-dimethyl-N-[3-(methylamino)propyl]adamantane-1-carboxamide;hydrochloride?
3,5-dimethyl-N-[3-(methylamino)propyl]adamantane-1-carboxamide;hydrochloride has a molecular weight of 314.90 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(methylamino)propyl]adamantane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119430118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).