ethene;2-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine;propan-1-ol

C17H30N2O2 — CID 142228186

IUPACethene;2-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine;propan-1-ol
SMILESC=C.CCCO.CCNCC1CCc2ccc(N)cc2O1
InChIInChI=1S/C12H18N2O.C3H8O.C2H4/c1-2-14-8-11-6-4-9-3-5-10(13)7-12(9)15-11;1-2-3-4;1-2/h3,5,7,11,14H,2,4,6,8,13H2,1H3;4H,2-3H2,1H3;1-2H2
InChIKeyISWCRRVQYWPPNP-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.76
Rot. Bonds4

About ethene;2-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine;propan-1-ol

ethene;2-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine;propan-1-ol (PubChem CID 142228186) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is ethene;2-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine;propan-1-ol.

Molecular Properties

Compound Nameethene;2-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine;propan-1-ol
PubChem CID142228186
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Nameethene;2-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine;propan-1-ol
SMILESC=C.CCCO.CCNCC1CCc2ccc(N)cc2O1
InChIInChI=1S/C12H18N2O.C3H8O.C2H4/c1-2-14-8-11-6-4-9-3-5-10(13)7-12(9)15-11;1-2-3-4;1-2/h3,5,7,11,14H,2,4,6,8,13H2,1H3;4H,2-3H2,1H3;1-2H2
InChIKeyISWCRRVQYWPPNP-UHFFFAOYSA-N
XLogP2.76
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis[2-[(pentylamino)methyl]-3,4-dihydro-2H-chromen-7-yl] oxalate
CID 70054549
3-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine
CID 105459411
N-[2-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-chromen-7-yl]methanesulfonamide
CID 10591372
(2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol
CID 10378389
methyl 2-(6-amino-3,4-dihydro-2H-chromen-2-yl)acetate;hydrochloride
CID 157401731
N-[(4-chlorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methanamine
CID 10805476
2-(3-aminobutyl)-3,4-dihydro-2H-chromen-6-amine
CID 163794602
2-[[3-(3-amino-2-methylphenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol
CID 10783507
2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]ethanol
CID 58869142
2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]acetamide
CID 58869133
3-methyl-N-[(7-methyl-3,4-dihydro-2H-chromen-2-yl)methyl]aniline
CID 123793833
N-[(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)methyl]-N-(3-hydroxypropyl)-methylboronamidic acid;3-[(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methylamino]propan-1-ol
CID 157344058

Frequently Asked Questions

What is the IUPAC name of ethene;2-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine;propan-1-ol?
The IUPAC name of ethene;2-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine;propan-1-ol (CID 142228186) is ethene;2-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine;propan-1-ol.
What is the SMILES notation for ethene;2-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine;propan-1-ol?
The canonical SMILES for ethene;2-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine;propan-1-ol is C=C.CCCO.CCNCC1CCc2ccc(N)cc2O1.
What is the InChIKey of ethene;2-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine;propan-1-ol?
The InChIKey is ISWCRRVQYWPPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.C3H8O.C2H4/c1-2-14-8-11-6-4-9-3-5-10(13)7-12(9)15-11;1-2-3-4;1-2/h3,5,7,11,14H,2,4,6,8,13H2,1H3;4H,2-3H2,1H3;1-2H2.
What are the key properties of ethene;2-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine;propan-1-ol?
ethene;2-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine;propan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine;propan-1-ol is sourced from PubChem (CID 142228186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).