N-(2-methoxycyclopentyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine

C18H27NO — CID 62088539

IUPACN-(2-methoxycyclopentyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCOC1CCCC1NC1CCC(C)(C)c2ccccc21
InChIInChI=1S/C18H27NO/c1-18(2)12-11-15(13-7-4-5-8-14(13)18)19-16-9-6-10-17(16)20-3/h4-5,7-8,15-17,19H,6,9-12H2,1-3H3
InChIKeyOYWFMSOEBBIKBO-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.96
Rot. Bonds3

About N-(2-methoxycyclopentyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine

N-(2-methoxycyclopentyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 62088539) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(2-methoxycyclopentyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound NameN-(2-methoxycyclopentyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID62088539
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(2-methoxycyclopentyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCOC1CCCC1NC1CCC(C)(C)c2ccccc21
InChIInChI=1S/C18H27NO/c1-18(2)12-11-15(13-7-4-5-8-14(13)18)19-16-9-6-10-17(16)20-3/h4-5,7-8,15-17,19H,6,9-12H2,1-3H3
InChIKeyOYWFMSOEBBIKBO-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclopentyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of N-(2-methoxycyclopentyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (CID 62088539) is N-(2-methoxycyclopentyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for N-(2-methoxycyclopentyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for N-(2-methoxycyclopentyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is COC1CCCC1NC1CCC(C)(C)c2ccccc21.
What is the InChIKey of N-(2-methoxycyclopentyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is OYWFMSOEBBIKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-18(2)12-11-15(13-7-4-5-8-14(13)18)19-16-9-6-10-17(16)20-3/h4-5,7-8,15-17,19H,6,9-12H2,1-3H3.
What are the key properties of N-(2-methoxycyclopentyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
N-(2-methoxycyclopentyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclopentyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 62088539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).