2-N-[2-(cyclopropylmethoxy)ethyl]-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine

C18H28N2O — CID 115419096

IUPAC2-N-[2-(cyclopropylmethoxy)ethyl]-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCC1CC(N(C)CCOCC2CC2)C(N)c2ccccc21
InChIInChI=1S/C18H28N2O/c1-13-11-17(18(19)16-6-4-3-5-15(13)16)20(2)9-10-21-12-14-7-8-14/h3-6,13-14,17-18H,7-12,19H2,1-2H3
InChIKeyHCBWHVZTQBYIQL-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.92
Rot. Bonds6

About 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine

2-N-[2-(cyclopropylmethoxy)ethyl]-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine (PubChem CID 115419096) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(cyclopropylmethoxy)ethyl]-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
PubChem CID115419096
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-N-[2-(cyclopropylmethoxy)ethyl]-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCC1CC(N(C)CCOCC2CC2)C(N)c2ccccc21
InChIInChI=1S/C18H28N2O/c1-13-11-17(18(19)16-6-4-3-5-15(13)16)20(2)9-10-21-12-14-7-8-14/h3-6,13-14,17-18H,7-12,19H2,1-2H3
InChIKeyHCBWHVZTQBYIQL-UHFFFAOYSA-N
XLogP2.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The IUPAC name of 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine (CID 115419096) is 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine.
What is the SMILES notation for 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The canonical SMILES for 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine is CC1CC(N(C)CCOCC2CC2)C(N)c2ccccc21.
What is the InChIKey of 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The InChIKey is HCBWHVZTQBYIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-11-17(18(19)16-6-4-3-5-15(13)16)20(2)9-10-21-12-14-7-8-14/h3-6,13-14,17-18H,7-12,19H2,1-2H3.
What are the key properties of 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
2-N-[2-(cyclopropylmethoxy)ethyl]-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine has a molecular weight of 288.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine is sourced from PubChem (CID 115419096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).