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

C19H28N2 — CID 79058618

IUPAC2-ethyl-1-N,2-N,2-N-trimethyl-1-naphthalen-2-ylbutane-1,2-diamine
SMILESCCC(CC)(C(NC)c1ccc2ccccc2c1)N(C)C
InChIInChI=1S/C19H28N2/c1-6-19(7-2,21(4)5)18(20-3)17-13-12-15-10-8-9-11-16(15)14-17/h8-14,18,20H,6-7H2,1-5H3
InChIKeyCBIDJWXAXOEIRM-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.22
Rot. Bonds6

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

2-ethyl-1-N,2-N,2-N-trimethyl-1-naphthalen-2-ylbutane-1,2-diamine (PubChem CID 79058618) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-ethyl-1-N,2-N,2-N-trimethyl-1-naphthalen-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-N,2-N,2-N-trimethyl-1-naphthalen-2-ylbutane-1,2-diamine
PubChem CID79058618
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name2-ethyl-1-N,2-N,2-N-trimethyl-1-naphthalen-2-ylbutane-1,2-diamine
SMILESCCC(CC)(C(NC)c1ccc2ccccc2c1)N(C)C
InChIInChI=1S/C19H28N2/c1-6-19(7-2,21(4)5)18(20-3)17-13-12-15-10-8-9-11-16(15)14-17/h8-14,18,20H,6-7H2,1-5H3
InChIKeyCBIDJWXAXOEIRM-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-2-ethyl-1-naphthalen-2-ylbutan-1-ol
CID 79061565
1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79061036
2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine
CID 79061588
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79058631
1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 114519571
2-ethyl-1-(furan-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79062006
2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79060890
N,2-diethyl-2-methoxy-1-naphthalen-2-ylbutan-1-amine
CID 116761218
2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine
CID 115851112
2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 63413588
N,2-dimethyl-1-naphthalen-2-ylpentan-1-amine
CID 115850950
1-chloro-N-methyl-1-naphthalen-2-ylmethanamine
CID 116962174

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N,2-N,2-N-trimethyl-1-naphthalen-2-ylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-1-N,2-N,2-N-trimethyl-1-naphthalen-2-ylbutane-1,2-diamine (CID 79058618) is 2-ethyl-1-N,2-N,2-N-trimethyl-1-naphthalen-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-N,2-N,2-N-trimethyl-1-naphthalen-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-N,2-N,2-N-trimethyl-1-naphthalen-2-ylbutane-1,2-diamine is CCC(CC)(C(NC)c1ccc2ccccc2c1)N(C)C.
What is the InChIKey of 2-ethyl-1-N,2-N,2-N-trimethyl-1-naphthalen-2-ylbutane-1,2-diamine?
The InChIKey is CBIDJWXAXOEIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-6-19(7-2,21(4)5)18(20-3)17-13-12-15-10-8-9-11-16(15)14-17/h8-14,18,20H,6-7H2,1-5H3.
What are the key properties of 2-ethyl-1-N,2-N,2-N-trimethyl-1-naphthalen-2-ylbutane-1,2-diamine?
2-ethyl-1-N,2-N,2-N-trimethyl-1-naphthalen-2-ylbutane-1,2-diamine has a molecular weight of 284.45 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-N,2-N,2-N-trimethyl-1-naphthalen-2-ylbutane-1,2-diamine is sourced from PubChem (CID 79058618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).