4,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-naphthalen-1-amine

C18H27NO — CID 102672100

IUPAC4,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCC(NCCC2CCOC2)c2ccccc21
InChIInChI=1S/C18H27NO/c1-18(2)10-7-17(15-5-3-4-6-16(15)18)19-11-8-14-9-12-20-13-14/h3-6,14,17,19H,7-13H2,1-2H3
InChIKeyOENIXKOHHHOSFT-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.82
Rot. Bonds4

About 4,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-naphthalen-1-amine

4,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 102672100) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID102672100
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCC(NCCC2CCOC2)c2ccccc21
InChIInChI=1S/C18H27NO/c1-18(2)10-7-17(15-5-3-4-6-16(15)18)19-11-8-14-9-12-20-13-14/h3-6,14,17,19H,7-13H2,1-2H3
InChIKeyOENIXKOHHHOSFT-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 43147385
4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine
CID 116642933
N-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 113303571
N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147302
N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 115615295
N-cyclopropyl-3-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]propanamide
CID 79377266
N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 113424537
N-(2-methoxypropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 102695797
1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol
CID 63294204
4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine
CID 43147420
N-[(4-chlorophenyl)methyl]-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147440
8-fluoro-N-[2-(oxolan-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 104538069

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 4,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-naphthalen-1-amine (CID 102672100) is 4,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 4,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-naphthalen-1-amine is CC1(C)CCC(NCCC2CCOC2)c2ccccc21.
What is the InChIKey of 4,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is OENIXKOHHHOSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-18(2)10-7-17(15-5-3-4-6-16(15)18)19-11-8-14-9-12-20-13-14/h3-6,14,17,19H,7-13H2,1-2H3.
What are the key properties of 4,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-naphthalen-1-amine?
4,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 102672100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).