N'-cyclopropyl-N'-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine

C18H28N2O — CID 103780471

IUPACN'-cyclopropyl-N'-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
SMILESCCN(CCNC1CCCc2ccc(OC)cc21)C1CC1
InChIInChI=1S/C18H28N2O/c1-3-20(15-8-9-15)12-11-19-18-6-4-5-14-7-10-16(21-2)13-17(14)18/h7,10,13,15,18-19H,3-6,8-9,11-12H2,1-2H3
InChIKeyBXDAQNHBEIBYBH-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.15
Rot. Bonds7

About N'-cyclopropyl-N'-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine

N'-cyclopropyl-N'-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine (PubChem CID 103780471) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N'-cyclopropyl-N'-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
PubChem CID103780471
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN'-cyclopropyl-N'-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
SMILESCCN(CCNC1CCCc2ccc(OC)cc21)C1CC1
InChIInChI=1S/C18H28N2O/c1-3-20(15-8-9-15)12-11-19-18-6-4-5-14-7-10-16(21-2)13-17(14)18/h7,10,13,15,18-19H,3-6,8-9,11-12H2,1-2H3
InChIKeyBXDAQNHBEIBYBH-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79239077
N-[2-[2-(dimethylamino)ethoxy]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107094075
7-methoxy-N-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240012
N'-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-N'-ethylethane-1,2-diamine
CID 113261016
N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240006
7-methoxy-N-[2-(oxolan-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104537990
7-methoxy-N-[(1-methylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103903212
N-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113261175
N-[2-(5-bromothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106042610
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103931495

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine (CID 103780471) is N'-cyclopropyl-N'-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine is CCN(CCNC1CCCc2ccc(OC)cc21)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine?
The InChIKey is BXDAQNHBEIBYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-20(15-8-9-15)12-11-19-18-6-4-5-14-7-10-16(21-2)13-17(14)18/h7,10,13,15,18-19H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine?
N'-cyclopropyl-N'-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine has a molecular weight of 288.44 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 103780471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).