(NE)-N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butylidene]hydroxylamine

C20H32N2O — CID 139908769

IUPAC(NE)-N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butylidene]hydroxylamine
SMILESCCC/C(=N\O)c1cccc2c1CC(N(CCC)CCC)CC2
InChIInChI=1S/C20H32N2O/c1-4-8-20(21-23)18-10-7-9-16-11-12-17(15-19(16)18)22(13-5-2)14-6-3/h7,9-10,17,23H,4-6,8,11-15H2,1-3H3/b21-20+
InChIKeyPVGZREAZLCIQFP-QZQOTICOSA-N
MW316.49 g/mol
LogP4.64
Rot. Bonds8

About (NE)-N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butylidene]hydroxylamine

(NE)-N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butylidene]hydroxylamine (PubChem CID 139908769) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is (NE)-N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butylidene]hydroxylamine
PubChem CID139908769
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name(NE)-N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butylidene]hydroxylamine
SMILESCCC/C(=N\O)c1cccc2c1CC(N(CCC)CCC)CC2
InChIInChI=1S/C20H32N2O/c1-4-8-20(21-23)18-10-7-9-16-11-12-17(15-19(16)18)22(13-5-2)14-6-3/h7,9-10,17,23H,4-6,8,11-15H2,1-3H3/b21-20+
InChIKeyPVGZREAZLCIQFP-QZQOTICOSA-N
XLogP4.64
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butylidene]hydroxylamine (CID 139908769) is (NE)-N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butylidene]hydroxylamine is CCC/C(=N\O)c1cccc2c1CC(N(CCC)CCC)CC2.
What is the InChIKey of (NE)-N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butylidene]hydroxylamine?
The InChIKey is PVGZREAZLCIQFP-QZQOTICOSA-N. The full InChI is InChI=1S/C20H32N2O/c1-4-8-20(21-23)18-10-7-9-16-11-12-17(15-19(16)18)22(13-5-2)14-6-3/h7,9-10,17,23H,4-6,8,11-15H2,1-3H3/b21-20+.
What are the key properties of (NE)-N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butylidene]hydroxylamine?
(NE)-N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butylidene]hydroxylamine has a molecular weight of 316.49 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butylidene]hydroxylamine is sourced from PubChem (CID 139908769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).