2-N-ethyl-2-N-naphthalen-1-yl-1-N-propylbutane-1,2-diamine

C19H28N2 — CID 63492049

IUPAC2-N-ethyl-2-N-naphthalen-1-yl-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(CC)N(CC)c1cccc2ccccc12
InChIInChI=1S/C19H28N2/c1-4-14-20-15-17(5-2)21(6-3)19-13-9-11-16-10-7-8-12-18(16)19/h7-13,17,20H,4-6,14-15H2,1-3H3
InChIKeyDFXZMWNLZPUHDQ-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.44
Rot. Bonds8

About 2-N-ethyl-2-N-naphthalen-1-yl-1-N-propylbutane-1,2-diamine

2-N-ethyl-2-N-naphthalen-1-yl-1-N-propylbutane-1,2-diamine (PubChem CID 63492049) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-N-ethyl-2-N-naphthalen-1-yl-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-naphthalen-1-yl-1-N-propylbutane-1,2-diamine
PubChem CID63492049
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name2-N-ethyl-2-N-naphthalen-1-yl-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(CC)N(CC)c1cccc2ccccc12
InChIInChI=1S/C19H28N2/c1-4-14-20-15-17(5-2)21(6-3)19-13-9-11-16-10-7-8-12-18(16)19/h7-13,17,20H,4-6,14-15H2,1-3H3
InChIKeyDFXZMWNLZPUHDQ-UHFFFAOYSA-N
XLogP4.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethyl-2-N-naphthalen-1-yl-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-naphthalen-1-yl-1-N-propylbutane-1,2-diamine (CID 63492049) is 2-N-ethyl-2-N-naphthalen-1-yl-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-naphthalen-1-yl-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-naphthalen-1-yl-1-N-propylbutane-1,2-diamine is CCCNCC(CC)N(CC)c1cccc2ccccc12.
What is the InChIKey of 2-N-ethyl-2-N-naphthalen-1-yl-1-N-propylbutane-1,2-diamine?
The InChIKey is DFXZMWNLZPUHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-4-14-20-15-17(5-2)21(6-3)19-13-9-11-16-10-7-8-12-18(16)19/h7-13,17,20H,4-6,14-15H2,1-3H3.
What are the key properties of 2-N-ethyl-2-N-naphthalen-1-yl-1-N-propylbutane-1,2-diamine?
2-N-ethyl-2-N-naphthalen-1-yl-1-N-propylbutane-1,2-diamine has a molecular weight of 284.45 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-naphthalen-1-yl-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 63492049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).