1-N-ethyl-2-N,3,3-trimethyl-1-N-naphthalen-1-ylbutane-1,2-diamine

C19H28N2 — CID 63467287

IUPAC1-N-ethyl-2-N,3,3-trimethyl-1-N-naphthalen-1-ylbutane-1,2-diamine
SMILESCCN(CC(NC)C(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C19H28N2/c1-6-21(14-18(20-5)19(2,3)4)17-13-9-11-15-10-7-8-12-16(15)17/h7-13,18,20H,6,14H2,1-5H3
InChIKeyRETFBUUQITUSGK-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.30
Rot. Bonds5

About 1-N-ethyl-2-N,3,3-trimethyl-1-N-naphthalen-1-ylbutane-1,2-diamine

1-N-ethyl-2-N,3,3-trimethyl-1-N-naphthalen-1-ylbutane-1,2-diamine (PubChem CID 63467287) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-N-ethyl-2-N,3,3-trimethyl-1-N-naphthalen-1-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N,3,3-trimethyl-1-N-naphthalen-1-ylbutane-1,2-diamine
PubChem CID63467287
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name1-N-ethyl-2-N,3,3-trimethyl-1-N-naphthalen-1-ylbutane-1,2-diamine
SMILESCCN(CC(NC)C(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C19H28N2/c1-6-21(14-18(20-5)19(2,3)4)17-13-9-11-15-10-7-8-12-16(15)17/h7-13,18,20H,6,14H2,1-5H3
InChIKeyRETFBUUQITUSGK-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N,3,3-trimethyl-1-N-naphthalen-1-ylbutane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N,3,3-trimethyl-1-N-naphthalen-1-ylbutane-1,2-diamine (CID 63467287) is 1-N-ethyl-2-N,3,3-trimethyl-1-N-naphthalen-1-ylbutane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N,3,3-trimethyl-1-N-naphthalen-1-ylbutane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N,3,3-trimethyl-1-N-naphthalen-1-ylbutane-1,2-diamine is CCN(CC(NC)C(C)(C)C)c1cccc2ccccc12.
What is the InChIKey of 1-N-ethyl-2-N,3,3-trimethyl-1-N-naphthalen-1-ylbutane-1,2-diamine?
The InChIKey is RETFBUUQITUSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-6-21(14-18(20-5)19(2,3)4)17-13-9-11-15-10-7-8-12-16(15)17/h7-13,18,20H,6,14H2,1-5H3.
What are the key properties of 1-N-ethyl-2-N,3,3-trimethyl-1-N-naphthalen-1-ylbutane-1,2-diamine?
1-N-ethyl-2-N,3,3-trimethyl-1-N-naphthalen-1-ylbutane-1,2-diamine has a molecular weight of 284.45 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N,3,3-trimethyl-1-N-naphthalen-1-ylbutane-1,2-diamine is sourced from PubChem (CID 63467287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).