N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine

C17H23N — CID 62716904

IUPACN-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine
SMILESCCNC(c1cccc2ccccc12)C(C)(C)C
InChIInChI=1S/C17H23N/c1-5-18-16(17(2,3)4)15-12-8-10-13-9-6-7-11-14(13)15/h6-12,16,18H,5H2,1-4H3
InChIKeyRVUPDZITCZJVPI-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.54
Rot. Bonds3

About N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine

N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine (PubChem CID 62716904) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine
PubChem CID62716904
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine
SMILESCCNC(c1cccc2ccccc12)C(C)(C)C
InChIInChI=1S/C17H23N/c1-5-18-16(17(2,3)4)15-12-8-10-13-9-6-7-11-14(13)15/h6-12,16,18H,5H2,1-4H3
InChIKeyRVUPDZITCZJVPI-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine
CID 116757964
N-ethyl-1-(2-ethylphenyl)-2,2-dimethylpropan-1-amine
CID 115854373
2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine
CID 64651937
N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine
CID 62715882
N,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide
CID 23140848
methanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene
CID 144559923
N-ethyl-3-methyl-1-naphthalen-1-ylpentan-1-amine
CID 63416227
(1R)-N,N,2,2-tetramethyl-1-naphthalen-1-ylpropan-1-amine
CID 102257505
N-[cyclopentyl(naphthalen-1-yl)methyl]ethanamine
CID 55187374
3,3-dimethyl-1-naphthalen-1-yl-N-propylbutan-1-amine
CID 63890250
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
N-ethyl-1-naphthalen-1-ylhex-4-yn-1-amine
CID 104805323

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine (CID 62716904) is N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine is CCNC(c1cccc2ccccc12)C(C)(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine?
The InChIKey is RVUPDZITCZJVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-5-18-16(17(2,3)4)15-12-8-10-13-9-6-7-11-14(13)15/h6-12,16,18H,5H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine?
N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine has a molecular weight of 241.38 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine is sourced from PubChem (CID 62716904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).