[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride

C19H29ClN2O2 — CID 120929972

IUPAC[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
SMILESCC(C)(C)c1ccc2c(c1)CCN2C(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-18(2,3)15-4-5-16-14(12-15)6-9-21(16)17(22)19(13-20)7-10-23-11-8-19;/h4-5,12H,6-11,13,20H2,1-3H3;1H
InChIKeyYFCVZFWSWXGCBW-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.05
Rot. Bonds2

About [4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride

[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride (PubChem CID 120929972) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
PubChem CID120929972
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
SMILESCC(C)(C)c1ccc2c(c1)CCN2C(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-18(2,3)15-4-5-16-14(12-15)6-9-21(16)17(22)19(13-20)7-10-23-11-8-19;/h4-5,12H,6-11,13,20H2,1-3H3;1H
InChIKeyYFCVZFWSWXGCBW-UHFFFAOYSA-N
XLogP3.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride with MolForge

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Related Compounds

[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
CID 120929973
1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 115448261
1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 120932755
2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride
CID 119313316
[4-(aminomethyl)phenyl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 75429777
[4-(aminomethyl)oxan-4-yl]-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 120933176
1-[1-(aminomethyl)cyclobutanecarbonyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 115448262
(5-tert-butyl-2,3-dihydroindol-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120929976
[4-(aminomethyl)oxan-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115439469
(3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
CID 119765893
4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide
CID 120927474
(5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120629796

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride (CID 120929972) is [4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride is CC(C)(C)c1ccc2c(c1)CCN2C(=O)C1(CN)CCOCC1.Cl.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride?
The InChIKey is YFCVZFWSWXGCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-18(2,3)15-4-5-16-14(12-15)6-9-21(16)17(22)19(13-20)7-10-23-11-8-19;/h4-5,12H,6-11,13,20H2,1-3H3;1H.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride?
[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120929972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).