2-N,2-N-diethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2-diamine

C17H28N2 — CID 43830917

IUPAC2-N,2-N-diethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2-diamine
SMILESCCN(CC)C1CCc2ccccc2C1(N)C(C)C
InChIInChI=1S/C17H28N2/c1-5-19(6-2)16-12-11-14-9-7-8-10-15(14)17(16,18)13(3)4/h7-10,13,16H,5-6,11-12,18H2,1-4H3
InChIKeyJSTZKYHAKBQUKZ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.15
Rot. Bonds4

About 2-N,2-N-diethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2-diamine

2-N,2-N-diethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2-diamine (PubChem CID 43830917) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2-diamine
PubChem CID43830917
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-N,2-N-diethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2-diamine
SMILESCCN(CC)C1CCc2ccccc2C1(N)C(C)C
InChIInChI=1S/C17H28N2/c1-5-19(6-2)16-12-11-14-9-7-8-10-15(14)17(16,18)13(3)4/h7-10,13,16H,5-6,11-12,18H2,1-4H3
InChIKeyJSTZKYHAKBQUKZ-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2-diamine (CID 43830917) is 2-N,2-N-diethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2-diamine is CCN(CC)C1CCc2ccccc2C1(N)C(C)C.
What is the InChIKey of 2-N,2-N-diethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2-diamine?
The InChIKey is JSTZKYHAKBQUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-19(6-2)16-12-11-14-9-7-8-10-15(14)17(16,18)13(3)4/h7-10,13,16H,5-6,11-12,18H2,1-4H3.
What are the key properties of 2-N,2-N-diethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2-diamine?
2-N,2-N-diethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2-diamine is sourced from PubChem (CID 43830917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).