N-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine

C16H20N2O — CID 115206803

IUPACN-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine
SMILESCOc1ccc2cc(NCCNC3CC3)ccc2c1
InChIInChI=1S/C16H20N2O/c1-19-16-7-3-12-10-15(4-2-13(12)11-16)18-9-8-17-14-5-6-14/h2-4,7,10-11,14,17-18H,5-6,8-9H2,1H3
InChIKeyDHCBHINJLWZLON-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.01
Rot. Bonds6

About N-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine

N-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine (PubChem CID 115206803) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine
PubChem CID115206803
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine
SMILESCOc1ccc2cc(NCCNC3CC3)ccc2c1
InChIInChI=1S/C16H20N2O/c1-19-16-7-3-12-10-15(4-2-13(12)11-16)18-9-8-17-14-5-6-14/h2-4,7,10-11,14,17-18H,5-6,8-9H2,1H3
InChIKeyDHCBHINJLWZLON-UHFFFAOYSA-N
XLogP3.01
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N'-naphthalen-2-ylethane-1,2-diamine
CID 115206802
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540512
4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol
CID 115217433
6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine
CID 115257711
4-[(6-methoxynaphthalen-2-yl)amino]butan-2-one
CID 115235467
N-cyclopropyl-N'-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 115206789
N-[2-(4-methoxyphenyl)sulfanylethyl]cyclopropanamine
CID 61385788
N-cyclopropyl-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine
CID 63672015
4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline
CID 10096933
N'-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 115207173
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628
N-(6-methoxynaphthalen-2-yl)piperidin-4-amine
CID 115118397

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine (CID 115206803) is N-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine is COc1ccc2cc(NCCNC3CC3)ccc2c1.
What is the InChIKey of N-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine?
The InChIKey is DHCBHINJLWZLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-19-16-7-3-12-10-15(4-2-13(12)11-16)18-9-8-17-14-5-6-14/h2-4,7,10-11,14,17-18H,5-6,8-9H2,1H3.
What are the key properties of N-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine?
N-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 115206803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).