3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine

C17H27N3O — CID 79308760

IUPAC3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine
SMILESCNC1c2ccccc2OCC1N(C)CC1CCCN1C
InChIInChI=1S/C17H27N3O/c1-18-17-14-8-4-5-9-16(14)21-12-15(17)20(3)11-13-7-6-10-19(13)2/h4-5,8-9,13,15,17-18H,6-7,10-12H2,1-3H3
InChIKeyLFZOPPKKNQYYMT-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.73
Rot. Bonds4

About 3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine

3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine (PubChem CID 79308760) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine.

Molecular Properties

Compound Name3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine
PubChem CID79308760
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine
SMILESCNC1c2ccccc2OCC1N(C)CC1CCCN1C
InChIInChI=1S/C17H27N3O/c1-18-17-14-8-4-5-9-16(14)21-12-15(17)20(3)11-13-7-6-10-19(13)2/h4-5,8-9,13,15,17-18H,6-7,10-12H2,1-3H3
InChIKeyLFZOPPKKNQYYMT-UHFFFAOYSA-N
XLogP1.73
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine
CID 63276081
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,4-dihydro-2H-chromen-4-ol
CID 79308794
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 65320847
3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 62545588
(1R)-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 59423288
3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-diamine
CID 79476936
N-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103495167
2,2-dimethyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentan-1-ol
CID 79857164
N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 66393839
3-(3-methoxypropylsulfanyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64628268
N,N'-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylethane-1,2-diamine
CID 79313149
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
CID 57253639

Frequently Asked Questions

What is the IUPAC name of 3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine?
The IUPAC name of 3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine (CID 79308760) is 3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine.
What is the SMILES notation for 3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine?
The canonical SMILES for 3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine is CNC1c2ccccc2OCC1N(C)CC1CCCN1C.
What is the InChIKey of 3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine?
The InChIKey is LFZOPPKKNQYYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-18-17-14-8-4-5-9-16(14)21-12-15(17)20(3)11-13-7-6-10-19(13)2/h4-5,8-9,13,15,17-18H,6-7,10-12H2,1-3H3.
What are the key properties of 3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine?
3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine has a molecular weight of 289.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine is sourced from PubChem (CID 79308760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).