N,N-dimethyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride

C19H29ClN2O — CID 3043842

IUPACN,N-dimethyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride
SMILESCCCC1(CCN(C)C)OCCn2c1c(C)c1ccccc12.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-5-10-19(11-12-20(3)4)18-15(2)16-8-6-7-9-17(16)21(18)13-14-22-19;/h6-9H,5,10-14H2,1-4H3;1H
InChIKeyMJQKFFFRLBUTBA-UHFFFAOYSA-N
MW336.91 g/mol
LogP4.35
Rot. Bonds5

About N,N-dimethyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride

N,N-dimethyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride (PubChem CID 3043842) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is N,N-dimethyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride
PubChem CID3043842
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC NameN,N-dimethyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride
SMILESCCCC1(CCN(C)C)OCCn2c1c(C)c1ccccc12.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-5-10-19(11-12-20(3)4)18-15(2)16-8-6-7-9-17(16)21(18)13-14-22-19;/h6-9H,5,10-14H2,1-4H3;1H
InChIKeyMJQKFFFRLBUTBA-UHFFFAOYSA-N
XLogP4.35
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride (CID 3043842) is N,N-dimethyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride is CCCC1(CCN(C)C)OCCn2c1c(C)c1ccccc12.Cl.
What is the InChIKey of N,N-dimethyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride?
The InChIKey is MJQKFFFRLBUTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-5-10-19(11-12-20(3)4)18-15(2)16-8-6-7-9-17(16)21(18)13-14-22-19;/h6-9H,5,10-14H2,1-4H3;1H.
What are the key properties of N,N-dimethyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride?
N,N-dimethyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride is sourced from PubChem (CID 3043842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).